DRGAPH

DRGAPH.itp
; ---- 
; Built itp for DRGAPH.mol2 
;    by user vzoete     Sat Feb 28 11:25:10 CET 2015 
; ---- 
;

[ atomtypes ] 
; name at.num  mass   charge  ptype    sigma            epsilon 
CB      6   12.0110  0.0  A         0.355005    0.292880  
CR      6   12.0110  0.0  A         0.387541    0.230120  
C=O     6   12.0110  0.0  A         0.356359    0.460240  
O=C     8   15.9994  0.0  A         0.302905    0.502080  
HCMM    1    1.0079  0.0  A         0.235197    0.092048  
NC=C    7   14.0067  0.0  A         0.329632    0.836800  
HNCO    1    1.0079  0.0  A         0.040001    0.192464  


[ pairtypes ] 
;  i     j    func     sigma1-4       epsilon1-4 ; THESE ARE 1-4 INTERACTIONS 
CR       CB     1      0.346773    0.110698 
CR       CR     1      0.338541    0.041840 
CR       C=O    1      0.347450    0.138768 
CR       O=C    1      0.293997    0.144938 
CR       HCMM   1      0.286869    0.062059 
CR       NC=C   1      0.334087    0.187114 
CR       HNCO   1      0.189271    0.089737 
O=C      CB     1      0.302228    0.383470 
O=C      C=O    1      0.302905    0.480705 
O=C      O=C    1      0.249452    0.502080 
O=C      HCMM   1      0.242324    0.214978 
O=C      NC=C   1      0.289542    0.648182 
O=C      HNCO   1      0.144726    0.310857 

[ moleculetype ]
; Name nrexcl 
DRGAPH 3

[ atoms ] 
; nr type resnr resid atom cgnr charge mass 
   1 CB   1  LIG CBV     1  0.0862  12.0110 
   2 CB   1  LIG CAS     2 -0.1500  12.0110 
   3 CB   1  LIG CAQ     3 -0.1500  12.0110 
   4 CB   1  LIG CAR     4 -0.1500  12.0110 
   5 CB   1  LIG CAP     5 -0.1500  12.0110 
   6 CB   1  LIG CBU     6  0.1000  12.0110 
   7 CB   1  LIG CBT     7  0.1000  12.0110 
   8 CB   1  LIG CAO     8 -0.1500  12.0110 
   9 CB   1  LIG CAM     9 -0.1500  12.0110 
  10 CB   1  LIG CAN    10 -0.1500  12.0110 
  11 CB   1  LIG CAL    11 -0.1500  12.0110 
  12 CB   1  LIG CBS    12  0.1000  12.0110 
  13 CB   1  LIG CBR    13  0.1000  12.0110 
  14 CB   1  LIG CAK    14 -0.1500  12.0110 
  15 CB   1  LIG CAI    15 -0.1500  12.0110 
  16 CB   1  LIG CAJ    16 -0.1500  12.0110 
  17 CB   1  LIG CAH    17 -0.1500  12.0110 
  18 CB   1  LIG CBQ    18  0.1000  12.0110 
  19 CB   1  LIG CBP    19  0.1000  12.0110 
  20 CB   1  LIG CAF    20 -0.1500  12.0110 
  21 CB   1  LIG CAD    21 -0.1500  12.0110 
  22 CB   1  LIG CBO    22  0.1000  12.0110 
  23 CB   1  LIG CAE    23 -0.1500  12.0110 
  24 CB   1  LIG CAG    24 -0.1500  12.0110 
  25 CR   1  LIG CAA    25  0.0000  12.0110 
  26 CR   1  LIG CAT    26  0.0000  12.0110 
  27 CR   1  LIG CAU    27  0.0000  12.0110 
  28 CR   1  LIG CAV    28  0.0000  12.0110 
  29 CR   1  LIG CAW    29  0.0000  12.0110 
  30 CR   1  LIG CAX    30  0.0000  12.0110 
  31 CR   1  LIG CAY    31  0.0000  12.0110 
  32 CR   1  LIG CAZ    32  0.0000  12.0110 
  33 CR   1  LIG CBA    33  0.0000  12.0110 
  34 CR   1  LIG CBB    34  0.0000  12.0110 
  35 CR   1  LIG CBC    35  0.0000  12.0110 
  36 CR   1  LIG CBD    36  0.0000  12.0110 
  37 CR   1  LIG CBE    37  0.0000  12.0110 
  38 CR   1  LIG CBF    38  0.0000  12.0110 
  39 CR   1  LIG CBG    39  0.0000  12.0110 
  40 CR   1  LIG CBH    40  0.0000  12.0110 
  41 CR   1  LIG CBI    41  0.0000  12.0110 
  42 CR   1  LIG CBJ    42  0.0610  12.0110 
  43 C=O  1  LIG CBN    43  0.4228  12.0110 
  44 O=C  1  LIG OAC    44 -0.5700  15.9994 
  45 HCMM 1  LIG HAS    45  0.1500   1.0079 
  46 HCMM 1  LIG HAQ    46  0.1500   1.0079 
  47 HCMM 1  LIG HAR    47  0.1500   1.0079 
  48 HCMM 1  LIG HAP    48  0.1500   1.0079 
  49 NC=C 1  LIG NBM    49 -0.6000  14.0067 
  50 HNCO 1  LIG HBW    50  0.4000   1.0079 
  51 HCMM 1  LIG HAO    51  0.1500   1.0079 
  52 HCMM 1  LIG HAM    52  0.1500   1.0079 
  53 HCMM 1  LIG HAN    53  0.1500   1.0079 
  54 HCMM 1  LIG HAL    54  0.1500   1.0079 
  55 NC=C 1  LIG NBL    55 -0.6000  14.0067 
  56 HNCO 1  LIG HBV    56  0.4000   1.0079 
  57 HCMM 1  LIG HAK    57  0.1500   1.0079 
  58 HCMM 1  LIG HAI    58  0.1500   1.0079 
  59 HCMM 1  LIG HAJ    59  0.1500   1.0079 
  60 HCMM 1  LIG HAH    60  0.1500   1.0079 
  61 NC=C 1  LIG NBK    61 -0.6000  14.0067 
  62 HNCO 1  LIG HBU    62  0.4000   1.0079 
  63 HCMM 1  LIG HAF    63  0.1500   1.0079 
  64 HCMM 1  LIG HAD    64  0.1500   1.0079 
  65 NC=C 1  LIG NAB    65 -0.9000  14.0067 
  66 HNCO 1  LIG HBY    66  0.4000   1.0079 
  67 HNCO 1  LIG HBX    67  0.4000   1.0079 
  68 HCMM 1  LIG HAE    68  0.1500   1.0079 
  69 HCMM 1  LIG HAG    69  0.1500   1.0079 
  70 HCMM 1  LIG HC2    70  0.0000   1.0079 
  71 HCMM 1  LIG HC3    71  0.0000   1.0079 
  72 HCMM 1  LIG HC4    72  0.0000   1.0079 
  73 HCMM 1  LIG HC5    73  0.0000   1.0079 
  74 HCMM 1  LIG HC6    74  0.0000   1.0079 
  75 HCMM 1  LIG HC7    75  0.0000   1.0079 
  76 HCMM 1  LIG HC8    76  0.0000   1.0079 
  77 HCMM 1  LIG HC9    77  0.0000   1.0079 
  78 HCMM 1  LIG HC10   78  0.0000   1.0079 
  79 HCMM 1  LIG HC11   79  0.0000   1.0079 
  80 HCMM 1  LIG HC12   80  0.0000   1.0079 
  81 HCMM 1  LIG HC13   81  0.0000   1.0079 
  82 HCMM 1  LIG HC14   82  0.0000   1.0079 
  83 HCMM 1  LIG HC15   83  0.0000   1.0079 
  84 HCMM 1  LIG HC16   84  0.0000   1.0079 
  85 HCMM 1  LIG HC17   85  0.0000   1.0079 
  86 HCMM 1  LIG HC18   86  0.0000   1.0079 
  87 HCMM 1  LIG HC19   87  0.0000   1.0079 
  88 HCMM 1  LIG HC20   88  0.0000   1.0079 
  89 HCMM 1  LIG HC21   89  0.0000   1.0079 
  90 HCMM 1  LIG HC22   90  0.0000   1.0079 
  91 HCMM 1  LIG HC23   91  0.0000   1.0079 
  92 HCMM 1  LIG HC24   92  0.0000   1.0079 
  93 HCMM 1  LIG HC25   93  0.0000   1.0079 
  94 HCMM 1  LIG HC26   94  0.0000   1.0079 
  95 HCMM 1  LIG HC27   95  0.0000   1.0079 
  96 HCMM 1  LIG HC28   96  0.0000   1.0079 
  97 HCMM 1  LIG HC29   97  0.0000   1.0079 
  98 HCMM 1  LIG HC30   98  0.0000   1.0079 
  99 HCMM 1  LIG HC31   99  0.0000   1.0079 
 100 HCMM 1  LIG HC32  100  0.0000   1.0079 
 101 HCMM 1  LIG HC33  101  0.0000   1.0079 
 102 HCMM 1  LIG HC34  102  0.0000   1.0079 
 103 HCMM 1  LIG HC35  103  0.0000   1.0079 
 104 HCMM 1  LIG HC1   104  0.0000   1.0079 
 105 HCMM 1  LIG HC36  105  0.0000   1.0079 
 106 HCMM 1  LIG HC37  106 -0.0000   1.0079 

[ bonds ]
; ai aj fu b0 kb, b0 kb 
 25  26 1 0.15080  256422.3  0.15080  256422.3 
 26  27 1 0.15080  256422.3  0.15080  256422.3 
 27  28 1 0.15080  256422.3  0.15080  256422.3 
 28  29 1 0.15080  256422.3  0.15080  256422.3 
 29  30 1 0.15080  256422.3  0.15080  256422.3 
 30  31 1 0.15080  256422.3  0.15080  256422.3 
 31  32 1 0.15080  256422.3  0.15080  256422.3 
 32  33 1 0.15080  256422.3  0.15080  256422.3 
 33  34 1 0.15080  256422.3  0.15080  256422.3 
 34  35 1 0.15080  256422.3  0.15080  256422.3 
 35  36 1 0.15080  256422.3  0.15080  256422.3 
 36  37 1 0.15080  256422.3  0.15080  256422.3 
 37  38 1 0.15080  256422.3  0.15080  256422.3 
 38  39 1 0.15080  256422.3  0.15080  256422.3 
 39  40 1 0.15080  256422.3  0.15080  256422.3 
 40  41 1 0.15080  256422.3  0.15080  256422.3 
 41  42 1 0.15080  256422.3  0.15080  256422.3 
 42  43 1 0.14920  252327.8  0.14920  252327.8 
 43  44 1 0.12220  779866.6  0.12220  779866.6 
 43   1 1 0.14570  270273.8  0.14570  270273.8 
  1   2 1 0.13740  335613.7  0.13740  335613.7 
  1   4 1 0.13740  335613.7  0.13740  335613.7 
  2  45 1 0.10840  319534.6  0.10840  319534.6 
  2   3 1 0.13740  335613.7  0.13740  335613.7 
  3  46 1 0.10840  319534.6  0.10840  319534.6 
  3   6 1 0.13740  335613.7  0.13740  335613.7 
  4  47 1 0.10840  319534.6  0.10840  319534.6 
  4   5 1 0.13740  335613.7  0.13740  335613.7 
  5  48 1 0.10840  319534.6  0.10840  319534.6 
  5   6 1 0.13740  335613.7  0.13740  335613.7 
  6  49 1 0.13980  371445.5  0.13980  371445.5 
 49  50 1 0.10180  396015.6  0.10180  396015.6 
 49   7 1 0.13980  371445.5  0.13980  371445.5 
  7   8 1 0.13740  335613.7  0.13740  335613.7 
  7  10 1 0.13740  335613.7  0.13740  335613.7 
  8  51 1 0.10840  319534.6  0.10840  319534.6 
  8   9 1 0.13740  335613.7  0.13740  335613.7 
  9  52 1 0.10840  319534.6  0.10840  319534.6 
  9  12 1 0.13740  335613.7  0.13740  335613.7 
 10  53 1 0.10840  319534.6  0.10840  319534.6 
 10  11 1 0.13740  335613.7  0.13740  335613.7 
 11  54 1 0.10840  319534.6  0.10840  319534.6 
 11  12 1 0.13740  335613.7  0.13740  335613.7 
 12  55 1 0.13980  371445.5  0.13980  371445.5 
 55  56 1 0.10180  396015.6  0.10180  396015.6 
 55  13 1 0.13980  371445.5  0.13980  371445.5 
 13  14 1 0.13740  335613.7  0.13740  335613.7 
 13  16 1 0.13740  335613.7  0.13740  335613.7 
 14  57 1 0.10840  319534.6  0.10840  319534.6 
 14  15 1 0.13740  335613.7  0.13740  335613.7 
 15  58 1 0.10840  319534.6  0.10840  319534.6 
 15  18 1 0.13740  335613.7  0.13740  335613.7 
 16  59 1 0.10840  319534.6  0.10840  319534.6 
 16  17 1 0.13740  335613.7  0.13740  335613.7 
 17  60 1 0.10840  319534.6  0.10840  319534.6 
 17  18 1 0.13740  335613.7  0.13740  335613.7 
 18  61 1 0.13980  371445.5  0.13980  371445.5 
 61  62 1 0.10180  396015.6  0.10180  396015.6 
 61  19 1 0.13980  371445.5  0.13980  371445.5 
 19  20 1 0.13740  335613.7  0.13740  335613.7 
 19  24 1 0.13740  335613.7  0.13740  335613.7 
 20  63 1 0.10840  319534.6  0.10840  319534.6 
 20  21 1 0.13740  335613.7  0.13740  335613.7 
 21  64 1 0.10840  319534.6  0.10840  319534.6 
 21  22 1 0.13740  335613.7  0.13740  335613.7 
 22  65 1 0.13980  371445.5  0.13980  371445.5 
 22  23 1 0.13740  335613.7  0.13740  335613.7 
 65  66 1 0.10180  396015.6  0.10180  396015.6 
 65  67 1 0.10180  396015.6  0.10180  396015.6 
 23  68 1 0.10840  319534.6  0.10840  319534.6 
 23  24 1 0.13740  335613.7  0.13740  335613.7 
 24  69 1 0.10840  319534.6  0.10840  319534.6 
 70  26 1 0.10930  287014.9  0.10930  287014.9 
 71  26 1 0.10930  287014.9  0.10930  287014.9 
 72  27 1 0.10930  287014.9  0.10930  287014.9 
 73  27 1 0.10930  287014.9  0.10930  287014.9 
 74  28 1 0.10930  287014.9  0.10930  287014.9 
 75  28 1 0.10930  287014.9  0.10930  287014.9 
 76  29 1 0.10930  287014.9  0.10930  287014.9 
 77  29 1 0.10930  287014.9  0.10930  287014.9 
 78  30 1 0.10930  287014.9  0.10930  287014.9 
 79  30 1 0.10930  287014.9  0.10930  287014.9 
 80  31 1 0.10930  287014.9  0.10930  287014.9 
 81  31 1 0.10930  287014.9  0.10930  287014.9 
 82  32 1 0.10930  287014.9  0.10930  287014.9 
 83  32 1 0.10930  287014.9  0.10930  287014.9 
 84  33 1 0.10930  287014.9  0.10930  287014.9 
 85  33 1 0.10930  287014.9  0.10930  287014.9 
 86  34 1 0.10930  287014.9  0.10930  287014.9 
 87  34 1 0.10930  287014.9  0.10930  287014.9 
 88  35 1 0.10930  287014.9  0.10930  287014.9 
 89  35 1 0.10930  287014.9  0.10930  287014.9 
 90  36 1 0.10930  287014.9  0.10930  287014.9 
 91  36 1 0.10930  287014.9  0.10930  287014.9 
 92  37 1 0.10930  287014.9  0.10930  287014.9 
 93  37 1 0.10930  287014.9  0.10930  287014.9 
 94  38 1 0.10930  287014.9  0.10930  287014.9 
 95  38 1 0.10930  287014.9  0.10930  287014.9 
 96  39 1 0.10930  287014.9  0.10930  287014.9 
 97  39 1 0.10930  287014.9  0.10930  287014.9 
 98  40 1 0.10930  287014.9  0.10930  287014.9 
 99  40 1 0.10930  287014.9  0.10930  287014.9 
100  41 1 0.10930  287014.9  0.10930  287014.9 
101  41 1 0.10930  287014.9  0.10930  287014.9 
102  42 1 0.10930  287014.9  0.10930  287014.9 
103  42 1 0.10930  287014.9  0.10930  287014.9 
104  25 1 0.10930  287014.9  0.10930  287014.9 
105  25 1 0.10930  287014.9  0.10930  287014.9 
106  25 1 0.10930  287014.9  0.10930  287014.9 

[ pairs ]
; ai aj fu 
  1   6 1  
  1  46 1  
  1  48 1  
  1  41 1  
  1 102 1  
  1 103 1  
  2   5 1  
  2  47 1  
  2  42 1  
  2  44 1  
  2  49 1  
  3   4 1  
  3  43 1  
  3  48 1  
  3   7 1  
  3  50 1  
  4  45 1  
  4  42 1  
  4  44 1  
  4  49 1  
  5  43 1  
  5  46 1  
  5   7 1  
  5  50 1  
  6  45 1  
  6  47 1  
  6   8 1  
  6  10 1  
  7  12 1  
  7  52 1  
  7  54 1  
  8  11 1  
  8  53 1  
  8  50 1  
  8  55 1  
  9  10 1  
  9  49 1  
  9  54 1  
  9  13 1  
  9  56 1  
 10  51 1  
 10  50 1  
 10  55 1  
 11  49 1  
 11  52 1  
 11  13 1  
 11  56 1  
 12  51 1  
 12  53 1  
 12  14 1  
 12  16 1  
 13  18 1  
 13  58 1  
 13  60 1  
 14  17 1  
 14  59 1  
 14  56 1  
 14  61 1  
 15  16 1  
 15  55 1  
 15  60 1  
 15  19 1  
 15  62 1  
 16  57 1  
 16  56 1  
 16  61 1  
 17  55 1  
 17  58 1  
 17  19 1  
 17  62 1  
 18  57 1  
 18  59 1  
 18  20 1  
 18  24 1  
 19  22 1  
 19  64 1  
 19  68 1  
 20  23 1  
 20  69 1  
 20  62 1  
 20  65 1  
 21  24 1  
 21  61 1  
 21  68 1  
 21  66 1  
 21  67 1  
 22  63 1  
 22  69 1  
 23  64 1  
 23  66 1  
 23  67 1  
 23  61 1  
 24  63 1  
 24  62 1  
 24  65 1  
 25  28 1  
 25  72 1  
 25  73 1  
 26  29 1  
 26  74 1  
 26  75 1  
 27 104 1  
 27 105 1  
 27 106 1  
 27  30 1  
 27  76 1  
 27  77 1  
 28  70 1  
 28  71 1  
 28  31 1  
 28  78 1  
 28  79 1  
 29  72 1  
 29  73 1  
 29  32 1  
 29  80 1  
 29  81 1  
 30  74 1  
 30  75 1  
 30  33 1  
 30  82 1  
 30  83 1  
 31  76 1  
 31  77 1  
 31  34 1  
 31  84 1  
 31  85 1  
 32  78 1  
 32  79 1  
 32  35 1  
 32  86 1  
 32  87 1  
 33  80 1  
 33  81 1  
 33  36 1  
 33  88 1  
 33  89 1  
 34  82 1  
 34  83 1  
 34  37 1  
 34  90 1  
 34  91 1  
 35  84 1  
 35  85 1  
 35  38 1  
 35  92 1  
 35  93 1  
 36  86 1  
 36  87 1  
 36  39 1  
 36  94 1  
 36  95 1  
 37  88 1  
 37  89 1  
 37  40 1  
 37  96 1  
 37  97 1  
 38  90 1  
 38  91 1  
 38  41 1  
 38  98 1  
 38  99 1  
 39  92 1  
 39  93 1  
 39  42 1  
 39 100 1  
 39 101 1  
 40  94 1  
 40  95 1  
 40  43 1  
 40 102 1  
 40 103 1  
 41  96 1  
 41  97 1  
 41  44 1  
 42  98 1  
 42  99 1  
 43  45 1  
 43  47 1  
 43 100 1  
 43 101 1  
 44 102 1  
 44 103 1  
 45  46 1  
 46  49 1  
 47  48 1  
 48  49 1  
 49  51 1  
 49  53 1  
 51  52 1  
 52  55 1  
 53  54 1  
 54  55 1  
 55  57 1  
 55  59 1  
 57  58 1  
 58  61 1  
 59  60 1  
 60  61 1  
 61  63 1  
 61  69 1  
 63  64 1  
 64  65 1  
 65  68 1  
 68  69 1  
 70 104 1  
 70 105 1  
 70 106 1  
 70  72 1  
 70  73 1  
 71 104 1  
 71 105 1  
 71 106 1  
 71  72 1  
 71  73 1  
 72  74 1  
 72  75 1  
 73  74 1  
 73  75 1  
 74  76 1  
 74  77 1  
 75  76 1  
 75  77 1  
 76  78 1  
 76  79 1  
 77  78 1  
 77  79 1  
 78  80 1  
 78  81 1  
 79  80 1  
 79  81 1  
 80  82 1  
 80  83 1  
 81  82 1  
 81  83 1  
 82  84 1  
 82  85 1  
 83  84 1  
 83  85 1  
 84  86 1  
 84  87 1  
 85  86 1  
 85  87 1  
 86  88 1  
 86  89 1  
 87  88 1  
 87  89 1  
 88  90 1  
 88  91 1  
 89  90 1  
 89  91 1  
 90  92 1  
 90  93 1  
 91  92 1  
 91  93 1  
 92  94 1  
 92  95 1  
 93  94 1  
 93  95 1  
 94  96 1  
 94  97 1  
 95  96 1  
 95  97 1  
 96  98 1  
 96  99 1  
 97  98 1  
 97  99 1  
 98 100 1  
 98 101 1  
 99 100 1  
 99 101 1  
100 102 1  
100 103 1  
101 102 1  
101 103 1  

[ angles ] 
; ai aj ak fu th0 kth ub0 kub th0 kth ub0 kub 
  2   1   4 1  119.9770  402.88    119.9770  402.88 
  2   1  43 1  114.4750  480.57    114.4750  480.57 
  4   1  43 1  114.4750  480.57    114.4750  480.57 
  1   2   3 1  119.9770  402.88    119.9770  402.88 
  1   2  45 1  120.5710  339.05    120.5710  339.05 
  3   2  45 1  120.5710  339.05    120.5710  339.05 
  2   3   6 1  119.9770  402.88    119.9770  402.88 
  2   3  46 1  120.5710  339.05    120.5710  339.05 
  6   3  46 1  120.5710  339.05    120.5710  339.05 
  1   4   5 1  119.9770  402.88    119.9770  402.88 
  1   4  47 1  120.5710  339.05    120.5710  339.05 
  5   4  47 1  120.5710  339.05    120.5710  339.05 
  4   5   6 1  119.9770  402.88    119.9770  402.88 
  4   5  48 1  120.5710  339.05    120.5710  339.05 
  6   5  48 1  120.5710  339.05    120.5710  339.05 
  3   6   5 1  119.9770  402.88    119.9770  402.88 
  3   6  49 1  121.6330  629.31    121.6330  629.31 
  5   6  49 1  121.6330  629.31    121.6330  629.31 
  8   7  10 1  119.9770  402.88    119.9770  402.88 
  8   7  49 1  121.6330  629.31    121.6330  629.31 
 10   7  49 1  121.6330  629.31    121.6330  629.31 
  7   8   9 1  119.9770  402.88    119.9770  402.88 
  7   8  51 1  120.5710  339.05    120.5710  339.05 
  9   8  51 1  120.5710  339.05    120.5710  339.05 
  8   9  12 1  119.9770  402.88    119.9770  402.88 
  8   9  52 1  120.5710  339.05    120.5710  339.05 
 12   9  52 1  120.5710  339.05    120.5710  339.05 
  7  10  11 1  119.9770  402.88    119.9770  402.88 
  7  10  53 1  120.5710  339.05    120.5710  339.05 
 11  10  53 1  120.5710  339.05    120.5710  339.05 
 10  11  12 1  119.9770  402.88    119.9770  402.88 
 10  11  54 1  120.5710  339.05    120.5710  339.05 
 12  11  54 1  120.5710  339.05    120.5710  339.05 
  9  12  11 1  119.9770  402.88    119.9770  402.88 
  9  12  55 1  121.6330  629.31    121.6330  629.31 
 11  12  55 1  121.6330  629.31    121.6330  629.31 
 14  13  16 1  119.9770  402.88    119.9770  402.88 
 14  13  55 1  121.6330  629.31    121.6330  629.31 
 16  13  55 1  121.6330  629.31    121.6330  629.31 
 13  14  15 1  119.9770  402.88    119.9770  402.88 
 13  14  57 1  120.5710  339.05    120.5710  339.05 
 15  14  57 1  120.5710  339.05    120.5710  339.05 
 14  15  18 1  119.9770  402.88    119.9770  402.88 
 14  15  58 1  120.5710  339.05    120.5710  339.05 
 18  15  58 1  120.5710  339.05    120.5710  339.05 
 13  16  17 1  119.9770  402.88    119.9770  402.88 
 13  16  59 1  120.5710  339.05    120.5710  339.05 
 17  16  59 1  120.5710  339.05    120.5710  339.05 
 16  17  18 1  119.9770  402.88    119.9770  402.88 
 16  17  60 1  120.5710  339.05    120.5710  339.05 
 18  17  60 1  120.5710  339.05    120.5710  339.05 
 15  18  17 1  119.9770  402.88    119.9770  402.88 
 15  18  61 1  121.6330  629.31    121.6330  629.31 
 17  18  61 1  121.6330  629.31    121.6330  629.31 
 20  19  24 1  119.9770  402.88    119.9770  402.88 
 20  19  61 1  121.6330  629.31    121.6330  629.31 
 24  19  61 1  121.6330  629.31    121.6330  629.31 
 19  20  21 1  119.9770  402.88    119.9770  402.88 
 19  20  63 1  120.5710  339.05    120.5710  339.05 
 21  20  63 1  120.5710  339.05    120.5710  339.05 
 20  21  22 1  119.9770  402.88    119.9770  402.88 
 20  21  64 1  120.5710  339.05    120.5710  339.05 
 22  21  64 1  120.5710  339.05    120.5710  339.05 
 21  22  23 1  119.9770  402.88    119.9770  402.88 
 21  22  65 1  121.6330  629.31    121.6330  629.31 
 23  22  65 1  121.6330  629.31    121.6330  629.31 
 22  23  24 1  119.9770  402.88    119.9770  402.88 
 22  23  68 1  120.5710  339.05    120.5710  339.05 
 24  23  68 1  120.5710  339.05    120.5710  339.05 
 19  24  23 1  119.9770  402.88    119.9770  402.88 
 19  24  69 1  120.5710  339.05    120.5710  339.05 
 23  24  69 1  120.5710  339.05    120.5710  339.05 
 26  25 104 1  110.5490  383.00    110.5490  383.00 
 26  25 105 1  110.5490  383.00    110.5490  383.00 
 26  25 106 1  110.5490  383.00    110.5490  383.00 
104  25 105 1  108.8360  310.74    108.8360  310.74 
104  25 106 1  108.8360  310.74    108.8360  310.74 
105  25 106 1  108.8360  310.74    108.8360  310.74 
 25  26  27 1  109.6080  512.48    109.6080  512.48 
 25  26  70 1  110.5490  383.00    110.5490  383.00 
 25  26  71 1  110.5490  383.00    110.5490  383.00 
 27  26  70 1  110.5490  383.00    110.5490  383.00 
 27  26  71 1  110.5490  383.00    110.5490  383.00 
 70  26  71 1  108.8360  310.74    108.8360  310.74 
 26  27  28 1  109.6080  512.48    109.6080  512.48 
 26  27  72 1  110.5490  383.00    110.5490  383.00 
 26  27  73 1  110.5490  383.00    110.5490  383.00 
 28  27  72 1  110.5490  383.00    110.5490  383.00 
 28  27  73 1  110.5490  383.00    110.5490  383.00 
 72  27  73 1  108.8360  310.74    108.8360  310.74 
 27  28  29 1  109.6080  512.48    109.6080  512.48 
 27  28  74 1  110.5490  383.00    110.5490  383.00 
 27  28  75 1  110.5490  383.00    110.5490  383.00 
 29  28  74 1  110.5490  383.00    110.5490  383.00 
 29  28  75 1  110.5490  383.00    110.5490  383.00 
 74  28  75 1  108.8360  310.74    108.8360  310.74 
 28  29  30 1  109.6080  512.48    109.6080  512.48 
 28  29  76 1  110.5490  383.00    110.5490  383.00 
 28  29  77 1  110.5490  383.00    110.5490  383.00 
 30  29  76 1  110.5490  383.00    110.5490  383.00 
 30  29  77 1  110.5490  383.00    110.5490  383.00 
 76  29  77 1  108.8360  310.74    108.8360  310.74 
 29  30  31 1  109.6080  512.48    109.6080  512.48 
 29  30  78 1  110.5490  383.00    110.5490  383.00 
 29  30  79 1  110.5490  383.00    110.5490  383.00 
 31  30  78 1  110.5490  383.00    110.5490  383.00 
 31  30  79 1  110.5490  383.00    110.5490  383.00 
 78  30  79 1  108.8360  310.74    108.8360  310.74 
 30  31  32 1  109.6080  512.48    109.6080  512.48 
 30  31  80 1  110.5490  383.00    110.5490  383.00 
 30  31  81 1  110.5490  383.00    110.5490  383.00 
 32  31  80 1  110.5490  383.00    110.5490  383.00 
 32  31  81 1  110.5490  383.00    110.5490  383.00 
 80  31  81 1  108.8360  310.74    108.8360  310.74 
 31  32  33 1  109.6080  512.48    109.6080  512.48 
 31  32  82 1  110.5490  383.00    110.5490  383.00 
 31  32  83 1  110.5490  383.00    110.5490  383.00 
 33  32  82 1  110.5490  383.00    110.5490  383.00 
 33  32  83 1  110.5490  383.00    110.5490  383.00 
 82  32  83 1  108.8360  310.74    108.8360  310.74 
 32  33  34 1  109.6080  512.48    109.6080  512.48 
 32  33  84 1  110.5490  383.00    110.5490  383.00 
 32  33  85 1  110.5490  383.00    110.5490  383.00 
 34  33  84 1  110.5490  383.00    110.5490  383.00 
 34  33  85 1  110.5490  383.00    110.5490  383.00 
 84  33  85 1  108.8360  310.74    108.8360  310.74 
 33  34  35 1  109.6080  512.48    109.6080  512.48 
 33  34  86 1  110.5490  383.00    110.5490  383.00 
 33  34  87 1  110.5490  383.00    110.5490  383.00 
 35  34  86 1  110.5490  383.00    110.5490  383.00 
 35  34  87 1  110.5490  383.00    110.5490  383.00 
 86  34  87 1  108.8360  310.74    108.8360  310.74 
 34  35  36 1  109.6080  512.48    109.6080  512.48 
 34  35  88 1  110.5490  383.00    110.5490  383.00 
 34  35  89 1  110.5490  383.00    110.5490  383.00 
 36  35  88 1  110.5490  383.00    110.5490  383.00 
 36  35  89 1  110.5490  383.00    110.5490  383.00 
 88  35  89 1  108.8360  310.74    108.8360  310.74 
 35  36  37 1  109.6080  512.48    109.6080  512.48 
 35  36  90 1  110.5490  383.00    110.5490  383.00 
 35  36  91 1  110.5490  383.00    110.5490  383.00 
 37  36  90 1  110.5490  383.00    110.5490  383.00 
 37  36  91 1  110.5490  383.00    110.5490  383.00 
 90  36  91 1  108.8360  310.74    108.8360  310.74 
 36  37  38 1  109.6080  512.48    109.6080  512.48 
 36  37  92 1  110.5490  383.00    110.5490  383.00 
 36  37  93 1  110.5490  383.00    110.5490  383.00 
 38  37  92 1  110.5490  383.00    110.5490  383.00 
 38  37  93 1  110.5490  383.00    110.5490  383.00 
 92  37  93 1  108.8360  310.74    108.8360  310.74 
 37  38  39 1  109.6080  512.48    109.6080  512.48 
 37  38  94 1  110.5490  383.00    110.5490  383.00 
 37  38  95 1  110.5490  383.00    110.5490  383.00 
 39  38  94 1  110.5490  383.00    110.5490  383.00 
 39  38  95 1  110.5490  383.00    110.5490  383.00 
 94  38  95 1  108.8360  310.74    108.8360  310.74 
 38  39  40 1  109.6080  512.48    109.6080  512.48 
 38  39  96 1  110.5490  383.00    110.5490  383.00 
 38  39  97 1  110.5490  383.00    110.5490  383.00 
 40  39  96 1  110.5490  383.00    110.5490  383.00 
 40  39  97 1  110.5490  383.00    110.5490  383.00 
 96  39  97 1  108.8360  310.74    108.8360  310.74 
 39  40  41 1  109.6080  512.48    109.6080  512.48 
 39  40  98 1  110.5490  383.00    110.5490  383.00 
 39  40  99 1  110.5490  383.00    110.5490  383.00 
 41  40  98 1  110.5490  383.00    110.5490  383.00 
 41  40  99 1  110.5490  383.00    110.5490  383.00 
 98  40  99 1  108.8360  310.74    108.8360  310.74 
 40  41  42 1  109.6080  512.48    109.6080  512.48 
 40  41 100 1  110.5490  383.00    110.5490  383.00 
 40  41 101 1  110.5490  383.00    110.5490  383.00 
 42  41 100 1  110.5490  383.00    110.5490  383.00 
 42  41 101 1  110.5490  383.00    110.5490  383.00 
100  41 101 1  108.8360  310.74    108.8360  310.74 
 41  42  43 1  107.5170  467.91    107.5170  467.91 
 41  42 102 1  110.5490  383.00    110.5490  383.00 
 41  42 103 1  110.5490  383.00    110.5490  383.00 
 43  42 102 1  108.3850  391.44    108.3850  391.44 
 43  42 103 1  108.3850  391.44    108.3850  391.44 
102  42 103 1  108.8360  310.74    108.8360  310.74 
  1  43  42 1  115.1910  632.92    115.1910  632.92 
  1  43  44 1  119.9680  442.02    119.9680  442.02 
 42  43  44 1  124.4100  564.87    124.4100  564.87 
  6  49   7 1  119.0180  604.62    119.0180  604.62 
  6  49  50 1  110.2880  398.66    110.2880  398.66 
  7  49  50 1  110.2880  398.66    110.2880  398.66 
 12  55  13 1  119.0180  604.62    119.0180  604.62 
 12  55  56 1  110.2880  398.66    110.2880  398.66 
 13  55  56 1  110.2880  398.66    110.2880  398.66 
 18  61  19 1  119.0180  604.62    119.0180  604.62 
 18  61  62 1  110.2880  398.66    110.2880  398.66 
 19  61  62 1  110.2880  398.66    110.2880  398.66 
 22  65  66 1  110.2880  398.66    110.2880  398.66 
 22  65  67 1  110.2880  398.66    110.2880  398.66 
 66  65  67 1  109.1600  337.24    109.1600  337.24 

[ dihedrals ] 
; ai aj ak al fu phi0 kphi mult phi0 kphi mult 
  1   2   3   6 9 180.00  14.6440 2   180.00  14.6440 2 
  1   2   3  46 9 180.00  14.6440 2   180.00  14.6440 2 
  1   4   5   6 9 180.00  14.6440 2   180.00  14.6440 2 
  1   4   5  48 9 180.00  14.6440 2   180.00  14.6440 2 
  1  43  42  41 9 180.00   1.0460 2   180.00   1.0460 2 
  1  43  42  41 9   0.00   0.7322 3     0.00   0.7322 3 
  1  43  42 102 9   0.00   0.1172 3     0.00   0.1172 3 
  1  43  42 103 9   0.00   0.1172 3     0.00   0.1172 3 
  2   1   4   5 9 180.00  14.6440 2   180.00  14.6440 2 
  2   1   4  47 9 180.00  14.6440 2   180.00  14.6440 2 
  2   1  43  42 9 180.00   5.2300 2   180.00   5.2300 2 
  2   1  43  44 9 180.00   5.2300 2   180.00   5.2300 2 
  2   3   6   5 9 180.00  14.6440 2   180.00  14.6440 2 
  2   3   6  49 9 180.00  14.6440 2   180.00  14.6440 2 
  3   2   1   4 9 180.00  14.6440 2   180.00  14.6440 2 
  3   2   1  43 9 180.00  14.6440 2   180.00  14.6440 2 
  3   6   5   4 9 180.00  14.6440 2   180.00  14.6440 2 
  3   6   5  48 9 180.00  14.6440 2   180.00  14.6440 2 
  3   6  49   7 9 180.00   8.3680 2   180.00   8.3680 2 
  3   6  49  50 9   0.00   1.4937 1     0.00   1.4937 1 
  3   6  49  50 9 180.00   5.4978 2   180.00   5.4978 2 
  3   6  49  50 9   0.00   7.0166 3     0.00   7.0166 3 
  4   1   2  45 9 180.00  14.6440 2   180.00  14.6440 2 
  4   1  43  42 9 180.00   5.2300 2   180.00   5.2300 2 
  4   1  43  44 9 180.00   5.2300 2   180.00   5.2300 2 
  4   5   6  49 9 180.00  14.6440 2   180.00  14.6440 2 
  5   4   1  43 9 180.00  14.6440 2   180.00  14.6440 2 
  5   6   3  46 9 180.00  14.6440 2   180.00  14.6440 2 
  5   6  49   7 9 180.00   8.3680 2   180.00   8.3680 2 
  5   6  49  50 9   0.00   1.4937 1     0.00   1.4937 1 
  5   6  49  50 9 180.00   5.4978 2   180.00   5.4978 2 
  5   6  49  50 9   0.00   7.0166 3     0.00   7.0166 3 
  6   3   2  45 9 180.00  14.6440 2   180.00  14.6440 2 
  6   5   4  47 9 180.00  14.6440 2   180.00  14.6440 2 
  6  49   7   8 9 180.00   8.3680 2   180.00   8.3680 2 
  6  49   7  10 9 180.00   8.3680 2   180.00   8.3680 2 
  7   8   9  12 9 180.00  14.6440 2   180.00  14.6440 2 
  7   8   9  52 9 180.00  14.6440 2   180.00  14.6440 2 
  7  10  11  12 9 180.00  14.6440 2   180.00  14.6440 2 
  7  10  11  54 9 180.00  14.6440 2   180.00  14.6440 2 
  8   7  10  11 9 180.00  14.6440 2   180.00  14.6440 2 
  8   7  10  53 9 180.00  14.6440 2   180.00  14.6440 2 
  8   7  49  50 9   0.00   1.4937 1     0.00   1.4937 1 
  8   7  49  50 9 180.00   5.4978 2   180.00   5.4978 2 
  8   7  49  50 9   0.00   7.0166 3     0.00   7.0166 3 
  8   9  12  11 9 180.00  14.6440 2   180.00  14.6440 2 
  8   9  12  55 9 180.00  14.6440 2   180.00  14.6440 2 
  9   8   7  10 9 180.00  14.6440 2   180.00  14.6440 2 
  9   8   7  49 9 180.00  14.6440 2   180.00  14.6440 2 
  9  12  11  10 9 180.00  14.6440 2   180.00  14.6440 2 
  9  12  11  54 9 180.00  14.6440 2   180.00  14.6440 2 
  9  12  55  13 9 180.00   8.3680 2   180.00   8.3680 2 
  9  12  55  56 9   0.00   1.4937 1     0.00   1.4937 1 
  9  12  55  56 9 180.00   5.4978 2   180.00   5.4978 2 
  9  12  55  56 9   0.00   7.0166 3     0.00   7.0166 3 
 10   7   8  51 9 180.00  14.6440 2   180.00  14.6440 2 
 10   7  49  50 9   0.00   1.4937 1     0.00   1.4937 1 
 10   7  49  50 9 180.00   5.4978 2   180.00   5.4978 2 
 10   7  49  50 9   0.00   7.0166 3     0.00   7.0166 3 
 10  11  12  55 9 180.00  14.6440 2   180.00  14.6440 2 
 11  10   7  49 9 180.00  14.6440 2   180.00  14.6440 2 
 11  12   9  52 9 180.00  14.6440 2   180.00  14.6440 2 
 11  12  55  13 9 180.00   8.3680 2   180.00   8.3680 2 
 11  12  55  56 9   0.00   1.4937 1     0.00   1.4937 1 
 11  12  55  56 9 180.00   5.4978 2   180.00   5.4978 2 
 11  12  55  56 9   0.00   7.0166 3     0.00   7.0166 3 
 12   9   8  51 9 180.00  14.6440 2   180.00  14.6440 2 
 12  11  10  53 9 180.00  14.6440 2   180.00  14.6440 2 
 12  55  13  14 9 180.00   8.3680 2   180.00   8.3680 2 
 12  55  13  16 9 180.00   8.3680 2   180.00   8.3680 2 
 13  14  15  18 9 180.00  14.6440 2   180.00  14.6440 2 
 13  14  15  58 9 180.00  14.6440 2   180.00  14.6440 2 
 13  16  17  18 9 180.00  14.6440 2   180.00  14.6440 2 
 13  16  17  60 9 180.00  14.6440 2   180.00  14.6440 2 
 14  13  16  17 9 180.00  14.6440 2   180.00  14.6440 2 
 14  13  16  59 9 180.00  14.6440 2   180.00  14.6440 2 
 14  13  55  56 9   0.00   1.4937 1     0.00   1.4937 1 
 14  13  55  56 9 180.00   5.4978 2   180.00   5.4978 2 
 14  13  55  56 9   0.00   7.0166 3     0.00   7.0166 3 
 14  15  18  17 9 180.00  14.6440 2   180.00  14.6440 2 
 14  15  18  61 9 180.00  14.6440 2   180.00  14.6440 2 
 15  14  13  16 9 180.00  14.6440 2   180.00  14.6440 2 
 15  14  13  55 9 180.00  14.6440 2   180.00  14.6440 2 
 15  18  17  16 9 180.00  14.6440 2   180.00  14.6440 2 
 15  18  17  60 9 180.00  14.6440 2   180.00  14.6440 2 
 15  18  61  19 9 180.00   8.3680 2   180.00   8.3680 2 
 15  18  61  62 9   0.00   1.4937 1     0.00   1.4937 1 
 15  18  61  62 9 180.00   5.4978 2   180.00   5.4978 2 
 15  18  61  62 9   0.00   7.0166 3     0.00   7.0166 3 
 16  13  14  57 9 180.00  14.6440 2   180.00  14.6440 2 
 16  13  55  56 9   0.00   1.4937 1     0.00   1.4937 1 
 16  13  55  56 9 180.00   5.4978 2   180.00   5.4978 2 
 16  13  55  56 9   0.00   7.0166 3     0.00   7.0166 3 
 16  17  18  61 9 180.00  14.6440 2   180.00  14.6440 2 
 17  16  13  55 9 180.00  14.6440 2   180.00  14.6440 2 
 17  18  15  58 9 180.00  14.6440 2   180.00  14.6440 2 
 17  18  61  19 9 180.00   8.3680 2   180.00   8.3680 2 
 17  18  61  62 9   0.00   1.4937 1     0.00   1.4937 1 
 17  18  61  62 9 180.00   5.4978 2   180.00   5.4978 2 
 17  18  61  62 9   0.00   7.0166 3     0.00   7.0166 3 
 18  15  14  57 9 180.00  14.6440 2   180.00  14.6440 2 
 18  17  16  59 9 180.00  14.6440 2   180.00  14.6440 2 
 18  61  19  20 9 180.00   8.3680 2   180.00   8.3680 2 
 18  61  19  24 9 180.00   8.3680 2   180.00   8.3680 2 
 19  20  21  22 9 180.00  14.6440 2   180.00  14.6440 2 
 19  20  21  64 9 180.00  14.6440 2   180.00  14.6440 2 
 19  24  23  22 9 180.00  14.6440 2   180.00  14.6440 2 
 19  24  23  68 9 180.00  14.6440 2   180.00  14.6440 2 
 20  19  24  23 9 180.00  14.6440 2   180.00  14.6440 2 
 20  19  24  69 9 180.00  14.6440 2   180.00  14.6440 2 
 20  19  61  62 9   0.00   1.4937 1     0.00   1.4937 1 
 20  19  61  62 9 180.00   5.4978 2   180.00   5.4978 2 
 20  19  61  62 9   0.00   7.0166 3     0.00   7.0166 3 
 20  21  22  23 9 180.00  14.6440 2   180.00  14.6440 2 
 20  21  22  65 9 180.00  14.6440 2   180.00  14.6440 2 
 21  20  19  24 9 180.00  14.6440 2   180.00  14.6440 2 
 21  20  19  61 9 180.00  14.6440 2   180.00  14.6440 2 
 21  22  23  24 9 180.00  14.6440 2   180.00  14.6440 2 
 21  22  23  68 9 180.00  14.6440 2   180.00  14.6440 2 
 21  22  65  66 9   0.00   1.4937 1     0.00   1.4937 1 
 21  22  65  66 9 180.00   5.4978 2   180.00   5.4978 2 
 21  22  65  66 9   0.00   7.0166 3     0.00   7.0166 3 
 21  22  65  67 9   0.00   1.4937 1     0.00   1.4937 1 
 21  22  65  67 9 180.00   5.4978 2   180.00   5.4978 2 
 21  22  65  67 9   0.00   7.0166 3     0.00   7.0166 3 
 22  21  20  63 9 180.00  14.6440 2   180.00  14.6440 2 
 22  23  24  69 9 180.00  14.6440 2   180.00  14.6440 2 
 23  22  21  64 9 180.00  14.6440 2   180.00  14.6440 2 
 23  22  65  66 9   0.00   1.4937 1     0.00   1.4937 1 
 23  22  65  66 9 180.00   5.4978 2   180.00   5.4978 2 
 23  22  65  66 9   0.00   7.0166 3     0.00   7.0166 3 
 23  22  65  67 9   0.00   1.4937 1     0.00   1.4937 1 
 23  22  65  67 9 180.00   5.4978 2   180.00   5.4978 2 
 23  22  65  67 9   0.00   7.0166 3     0.00   7.0166 3 
 23  24  19  61 9 180.00  14.6440 2   180.00  14.6440 2 
 24  19  20  63 9 180.00  14.6440 2   180.00  14.6440 2 
 24  19  61  62 9   0.00   1.4937 1     0.00   1.4937 1 
 24  19  61  62 9 180.00   5.4978 2   180.00   5.4978 2 
 24  19  61  62 9   0.00   7.0166 3     0.00   7.0166 3 
 24  23  22  65 9 180.00  14.6440 2   180.00  14.6440 2 
 25  26  27  28 9   0.00   0.2134 1     0.00   0.2134 1 
 25  26  27  28 9 180.00   1.4267 2   180.00   1.4267 2 
 25  26  27  28 9   0.00   0.6945 3     0.00   0.6945 3 
 25  26  27  72 9   0.00   1.3389 1     0.00   1.3389 1 
 25  26  27  72 9 180.00  -1.3180 2   180.00  -1.3180 2 
 25  26  27  72 9   0.00   0.5523 3     0.00   0.5523 3 
 25  26  27  73 9   0.00   1.3389 1     0.00   1.3389 1 
 25  26  27  73 9 180.00  -1.3180 2   180.00  -1.3180 2 
 25  26  27  73 9   0.00   0.5523 3     0.00   0.5523 3 
 26  27  28  29 9   0.00   0.2134 1     0.00   0.2134 1 
 26  27  28  29 9 180.00   1.4267 2   180.00   1.4267 2 
 26  27  28  29 9   0.00   0.6945 3     0.00   0.6945 3 
 26  27  28  74 9   0.00   1.3389 1     0.00   1.3389 1 
 26  27  28  74 9 180.00  -1.3180 2   180.00  -1.3180 2 
 26  27  28  74 9   0.00   0.5523 3     0.00   0.5523 3 
 26  27  28  75 9   0.00   1.3389 1     0.00   1.3389 1 
 26  27  28  75 9 180.00  -1.3180 2   180.00  -1.3180 2 
 26  27  28  75 9   0.00   0.5523 3     0.00   0.5523 3 
 27  26  25 104 9   0.00   1.3389 1     0.00   1.3389 1 
 27  26  25 104 9 180.00  -1.3180 2   180.00  -1.3180 2 
 27  26  25 104 9   0.00   0.5523 3     0.00   0.5523 3 
 27  26  25 105 9   0.00   1.3389 1     0.00   1.3389 1 
 27  26  25 105 9 180.00  -1.3180 2   180.00  -1.3180 2 
 27  26  25 105 9   0.00   0.5523 3     0.00   0.5523 3 
 27  26  25 106 9   0.00   1.3389 1     0.00   1.3389 1 
 27  26  25 106 9 180.00  -1.3180 2   180.00  -1.3180 2 
 27  26  25 106 9   0.00   0.5523 3     0.00   0.5523 3 
 27  28  29  30 9   0.00   0.2134 1     0.00   0.2134 1 
 27  28  29  30 9 180.00   1.4267 2   180.00   1.4267 2 
 27  28  29  30 9   0.00   0.6945 3     0.00   0.6945 3 
 27  28  29  76 9   0.00   1.3389 1     0.00   1.3389 1 
 27  28  29  76 9 180.00  -1.3180 2   180.00  -1.3180 2 
 27  28  29  76 9   0.00   0.5523 3     0.00   0.5523 3 
 27  28  29  77 9   0.00   1.3389 1     0.00   1.3389 1 
 27  28  29  77 9 180.00  -1.3180 2   180.00  -1.3180 2 
 27  28  29  77 9   0.00   0.5523 3     0.00   0.5523 3 
 28  27  26  70 9   0.00   1.3389 1     0.00   1.3389 1 
 28  27  26  70 9 180.00  -1.3180 2   180.00  -1.3180 2 
 28  27  26  70 9   0.00   0.5523 3     0.00   0.5523 3 
 28  27  26  71 9   0.00   1.3389 1     0.00   1.3389 1 
 28  27  26  71 9 180.00  -1.3180 2   180.00  -1.3180 2 
 28  27  26  71 9   0.00   0.5523 3     0.00   0.5523 3 
 28  29  30  31 9   0.00   0.2134 1     0.00   0.2134 1 
 28  29  30  31 9 180.00   1.4267 2   180.00   1.4267 2 
 28  29  30  31 9   0.00   0.6945 3     0.00   0.6945 3 
 28  29  30  78 9   0.00   1.3389 1     0.00   1.3389 1 
 28  29  30  78 9 180.00  -1.3180 2   180.00  -1.3180 2 
 28  29  30  78 9   0.00   0.5523 3     0.00   0.5523 3 
 28  29  30  79 9   0.00   1.3389 1     0.00   1.3389 1 
 28  29  30  79 9 180.00  -1.3180 2   180.00  -1.3180 2 
 28  29  30  79 9   0.00   0.5523 3     0.00   0.5523 3 
 29  28  27  72 9   0.00   1.3389 1     0.00   1.3389 1 
 29  28  27  72 9 180.00  -1.3180 2   180.00  -1.3180 2 
 29  28  27  72 9   0.00   0.5523 3     0.00   0.5523 3 
 29  28  27  73 9   0.00   1.3389 1     0.00   1.3389 1 
 29  28  27  73 9 180.00  -1.3180 2   180.00  -1.3180 2 
 29  28  27  73 9   0.00   0.5523 3     0.00   0.5523 3 
 29  30  31  32 9   0.00   0.2134 1     0.00   0.2134 1 
 29  30  31  32 9 180.00   1.4267 2   180.00   1.4267 2 
 29  30  31  32 9   0.00   0.6945 3     0.00   0.6945 3 
 29  30  31  80 9   0.00   1.3389 1     0.00   1.3389 1 
 29  30  31  80 9 180.00  -1.3180 2   180.00  -1.3180 2 
 29  30  31  80 9   0.00   0.5523 3     0.00   0.5523 3 
 29  30  31  81 9   0.00   1.3389 1     0.00   1.3389 1 
 29  30  31  81 9 180.00  -1.3180 2   180.00  -1.3180 2 
 29  30  31  81 9   0.00   0.5523 3     0.00   0.5523 3 
 30  29  28  74 9   0.00   1.3389 1     0.00   1.3389 1 
 30  29  28  74 9 180.00  -1.3180 2   180.00  -1.3180 2 
 30  29  28  74 9   0.00   0.5523 3     0.00   0.5523 3 
 30  29  28  75 9   0.00   1.3389 1     0.00   1.3389 1 
 30  29  28  75 9 180.00  -1.3180 2   180.00  -1.3180 2 
 30  29  28  75 9   0.00   0.5523 3     0.00   0.5523 3 
 30  31  32  33 9   0.00   0.2134 1     0.00   0.2134 1 
 30  31  32  33 9 180.00   1.4267 2   180.00   1.4267 2 
 30  31  32  33 9   0.00   0.6945 3     0.00   0.6945 3 
 30  31  32  82 9   0.00   1.3389 1     0.00   1.3389 1 
 30  31  32  82 9 180.00  -1.3180 2   180.00  -1.3180 2 
 30  31  32  82 9   0.00   0.5523 3     0.00   0.5523 3 
 30  31  32  83 9   0.00   1.3389 1     0.00   1.3389 1 
 30  31  32  83 9 180.00  -1.3180 2   180.00  -1.3180 2 
 30  31  32  83 9   0.00   0.5523 3     0.00   0.5523 3 
 31  30  29  76 9   0.00   1.3389 1     0.00   1.3389 1 
 31  30  29  76 9 180.00  -1.3180 2   180.00  -1.3180 2 
 31  30  29  76 9   0.00   0.5523 3     0.00   0.5523 3 
 31  30  29  77 9   0.00   1.3389 1     0.00   1.3389 1 
 31  30  29  77 9 180.00  -1.3180 2   180.00  -1.3180 2 
 31  30  29  77 9   0.00   0.5523 3     0.00   0.5523 3 
 31  32  33  34 9   0.00   0.2134 1     0.00   0.2134 1 
 31  32  33  34 9 180.00   1.4267 2   180.00   1.4267 2 
 31  32  33  34 9   0.00   0.6945 3     0.00   0.6945 3 
 31  32  33  84 9   0.00   1.3389 1     0.00   1.3389 1 
 31  32  33  84 9 180.00  -1.3180 2   180.00  -1.3180 2 
 31  32  33  84 9   0.00   0.5523 3     0.00   0.5523 3 
 31  32  33  85 9   0.00   1.3389 1     0.00   1.3389 1 
 31  32  33  85 9 180.00  -1.3180 2   180.00  -1.3180 2 
 31  32  33  85 9   0.00   0.5523 3     0.00   0.5523 3 
 32  31  30  78 9   0.00   1.3389 1     0.00   1.3389 1 
 32  31  30  78 9 180.00  -1.3180 2   180.00  -1.3180 2 
 32  31  30  78 9   0.00   0.5523 3     0.00   0.5523 3 
 32  31  30  79 9   0.00   1.3389 1     0.00   1.3389 1 
 32  31  30  79 9 180.00  -1.3180 2   180.00  -1.3180 2 
 32  31  30  79 9   0.00   0.5523 3     0.00   0.5523 3 
 32  33  34  35 9   0.00   0.2134 1     0.00   0.2134 1 
 32  33  34  35 9 180.00   1.4267 2   180.00   1.4267 2 
 32  33  34  35 9   0.00   0.6945 3     0.00   0.6945 3 
 32  33  34  86 9   0.00   1.3389 1     0.00   1.3389 1 
 32  33  34  86 9 180.00  -1.3180 2   180.00  -1.3180 2 
 32  33  34  86 9   0.00   0.5523 3     0.00   0.5523 3 
 32  33  34  87 9   0.00   1.3389 1     0.00   1.3389 1 
 32  33  34  87 9 180.00  -1.3180 2   180.00  -1.3180 2 
 32  33  34  87 9   0.00   0.5523 3     0.00   0.5523 3 
 33  32  31  80 9   0.00   1.3389 1     0.00   1.3389 1 
 33  32  31  80 9 180.00  -1.3180 2   180.00  -1.3180 2 
 33  32  31  80 9   0.00   0.5523 3     0.00   0.5523 3 
 33  32  31  81 9   0.00   1.3389 1     0.00   1.3389 1 
 33  32  31  81 9 180.00  -1.3180 2   180.00  -1.3180 2 
 33  32  31  81 9   0.00   0.5523 3     0.00   0.5523 3 
 33  34  35  36 9   0.00   0.2134 1     0.00   0.2134 1 
 33  34  35  36 9 180.00   1.4267 2   180.00   1.4267 2 
 33  34  35  36 9   0.00   0.6945 3     0.00   0.6945 3 
 33  34  35  88 9   0.00   1.3389 1     0.00   1.3389 1 
 33  34  35  88 9 180.00  -1.3180 2   180.00  -1.3180 2 
 33  34  35  88 9   0.00   0.5523 3     0.00   0.5523 3 
 33  34  35  89 9   0.00   1.3389 1     0.00   1.3389 1 
 33  34  35  89 9 180.00  -1.3180 2   180.00  -1.3180 2 
 33  34  35  89 9   0.00   0.5523 3     0.00   0.5523 3 
 34  33  32  82 9   0.00   1.3389 1     0.00   1.3389 1 
 34  33  32  82 9 180.00  -1.3180 2   180.00  -1.3180 2 
 34  33  32  82 9   0.00   0.5523 3     0.00   0.5523 3 
 34  33  32  83 9   0.00   1.3389 1     0.00   1.3389 1 
 34  33  32  83 9 180.00  -1.3180 2   180.00  -1.3180 2 
 34  33  32  83 9   0.00   0.5523 3     0.00   0.5523 3 
 34  35  36  37 9   0.00   0.2134 1     0.00   0.2134 1 
 34  35  36  37 9 180.00   1.4267 2   180.00   1.4267 2 
 34  35  36  37 9   0.00   0.6945 3     0.00   0.6945 3 
 34  35  36  90 9   0.00   1.3389 1     0.00   1.3389 1 
 34  35  36  90 9 180.00  -1.3180 2   180.00  -1.3180 2 
 34  35  36  90 9   0.00   0.5523 3     0.00   0.5523 3 
 34  35  36  91 9   0.00   1.3389 1     0.00   1.3389 1 
 34  35  36  91 9 180.00  -1.3180 2   180.00  -1.3180 2 
 34  35  36  91 9   0.00   0.5523 3     0.00   0.5523 3 
 35  34  33  84 9   0.00   1.3389 1     0.00   1.3389 1 
 35  34  33  84 9 180.00  -1.3180 2   180.00  -1.3180 2 
 35  34  33  84 9   0.00   0.5523 3     0.00   0.5523 3 
 35  34  33  85 9   0.00   1.3389 1     0.00   1.3389 1 
 35  34  33  85 9 180.00  -1.3180 2   180.00  -1.3180 2 
 35  34  33  85 9   0.00   0.5523 3     0.00   0.5523 3 
 35  36  37  38 9   0.00   0.2134 1     0.00   0.2134 1 
 35  36  37  38 9 180.00   1.4267 2   180.00   1.4267 2 
 35  36  37  38 9   0.00   0.6945 3     0.00   0.6945 3 
 35  36  37  92 9   0.00   1.3389 1     0.00   1.3389 1 
 35  36  37  92 9 180.00  -1.3180 2   180.00  -1.3180 2 
 35  36  37  92 9   0.00   0.5523 3     0.00   0.5523 3 
 35  36  37  93 9   0.00   1.3389 1     0.00   1.3389 1 
 35  36  37  93 9 180.00  -1.3180 2   180.00  -1.3180 2 
 35  36  37  93 9   0.00   0.5523 3     0.00   0.5523 3 
 36  35  34  86 9   0.00   1.3389 1     0.00   1.3389 1 
 36  35  34  86 9 180.00  -1.3180 2   180.00  -1.3180 2 
 36  35  34  86 9   0.00   0.5523 3     0.00   0.5523 3 
 36  35  34  87 9   0.00   1.3389 1     0.00   1.3389 1 
 36  35  34  87 9 180.00  -1.3180 2   180.00  -1.3180 2 
 36  35  34  87 9   0.00   0.5523 3     0.00   0.5523 3 
 36  37  38  39 9   0.00   0.2134 1     0.00   0.2134 1 
 36  37  38  39 9 180.00   1.4267 2   180.00   1.4267 2 
 36  37  38  39 9   0.00   0.6945 3     0.00   0.6945 3 
 36  37  38  94 9   0.00   1.3389 1     0.00   1.3389 1 
 36  37  38  94 9 180.00  -1.3180 2   180.00  -1.3180 2 
 36  37  38  94 9   0.00   0.5523 3     0.00   0.5523 3 
 36  37  38  95 9   0.00   1.3389 1     0.00   1.3389 1 
 36  37  38  95 9 180.00  -1.3180 2   180.00  -1.3180 2 
 36  37  38  95 9   0.00   0.5523 3     0.00   0.5523 3 
 37  36  35  88 9   0.00   1.3389 1     0.00   1.3389 1 
 37  36  35  88 9 180.00  -1.3180 2   180.00  -1.3180 2 
 37  36  35  88 9   0.00   0.5523 3     0.00   0.5523 3 
 37  36  35  89 9   0.00   1.3389 1     0.00   1.3389 1 
 37  36  35  89 9 180.00  -1.3180 2   180.00  -1.3180 2 
 37  36  35  89 9   0.00   0.5523 3     0.00   0.5523 3 
 37  38  39  40 9   0.00   0.2134 1     0.00   0.2134 1 
 37  38  39  40 9 180.00   1.4267 2   180.00   1.4267 2 
 37  38  39  40 9   0.00   0.6945 3     0.00   0.6945 3 
 37  38  39  96 9   0.00   1.3389 1     0.00   1.3389 1 
 37  38  39  96 9 180.00  -1.3180 2   180.00  -1.3180 2 
 37  38  39  96 9   0.00   0.5523 3     0.00   0.5523 3 
 37  38  39  97 9   0.00   1.3389 1     0.00   1.3389 1 
 37  38  39  97 9 180.00  -1.3180 2   180.00  -1.3180 2 
 37  38  39  97 9   0.00   0.5523 3     0.00   0.5523 3 
 38  37  36  90 9   0.00   1.3389 1     0.00   1.3389 1 
 38  37  36  90 9 180.00  -1.3180 2   180.00  -1.3180 2 
 38  37  36  90 9   0.00   0.5523 3     0.00   0.5523 3 
 38  37  36  91 9   0.00   1.3389 1     0.00   1.3389 1 
 38  37  36  91 9 180.00  -1.3180 2   180.00  -1.3180 2 
 38  37  36  91 9   0.00   0.5523 3     0.00   0.5523 3 
 38  39  40  41 9   0.00   0.2134 1     0.00   0.2134 1 
 38  39  40  41 9 180.00   1.4267 2   180.00   1.4267 2 
 38  39  40  41 9   0.00   0.6945 3     0.00   0.6945 3 
 38  39  40  98 9   0.00   1.3389 1     0.00   1.3389 1 
 38  39  40  98 9 180.00  -1.3180 2   180.00  -1.3180 2 
 38  39  40  98 9   0.00   0.5523 3     0.00   0.5523 3 
 38  39  40  99 9   0.00   1.3389 1     0.00   1.3389 1 
 38  39  40  99 9 180.00  -1.3180 2   180.00  -1.3180 2 
 38  39  40  99 9   0.00   0.5523 3     0.00   0.5523 3 
 39  38  37  92 9   0.00   1.3389 1     0.00   1.3389 1 
 39  38  37  92 9 180.00  -1.3180 2   180.00  -1.3180 2 
 39  38  37  92 9   0.00   0.5523 3     0.00   0.5523 3 
 39  38  37  93 9   0.00   1.3389 1     0.00   1.3389 1 
 39  38  37  93 9 180.00  -1.3180 2   180.00  -1.3180 2 
 39  38  37  93 9   0.00   0.5523 3     0.00   0.5523 3 
 39  40  41  42 9   0.00   0.2134 1     0.00   0.2134 1 
 39  40  41  42 9 180.00   1.4267 2   180.00   1.4267 2 
 39  40  41  42 9   0.00   0.6945 3     0.00   0.6945 3 
 39  40  41 100 9   0.00   1.3389 1     0.00   1.3389 1 
 39  40  41 100 9 180.00  -1.3180 2   180.00  -1.3180 2 
 39  40  41 100 9   0.00   0.5523 3     0.00   0.5523 3 
 39  40  41 101 9   0.00   1.3389 1     0.00   1.3389 1 
 39  40  41 101 9 180.00  -1.3180 2   180.00  -1.3180 2 
 39  40  41 101 9   0.00   0.5523 3     0.00   0.5523 3 
 40  39  38  94 9   0.00   1.3389 1     0.00   1.3389 1 
 40  39  38  94 9 180.00  -1.3180 2   180.00  -1.3180 2 
 40  39  38  94 9   0.00   0.5523 3     0.00   0.5523 3 
 40  39  38  95 9   0.00   1.3389 1     0.00   1.3389 1 
 40  39  38  95 9 180.00  -1.3180 2   180.00  -1.3180 2 
 40  39  38  95 9   0.00   0.5523 3     0.00   0.5523 3 
 40  41  42  43 9   0.00   0.1381 1     0.00   0.1381 1 
 40  41  42  43 9 180.00  -0.3264 2   180.00  -0.3264 2 
 40  41  42  43 9   0.00   0.2971 3     0.00   0.2971 3 
 40  41  42 102 9   0.00   1.3389 1     0.00   1.3389 1 
 40  41  42 102 9 180.00  -1.3180 2   180.00  -1.3180 2 
 40  41  42 102 9   0.00   0.5523 3     0.00   0.5523 3 
 40  41  42 103 9   0.00   1.3389 1     0.00   1.3389 1 
 40  41  42 103 9 180.00  -1.3180 2   180.00  -1.3180 2 
 40  41  42 103 9   0.00   0.5523 3     0.00   0.5523 3 
 41  40  39  96 9   0.00   1.3389 1     0.00   1.3389 1 
 41  40  39  96 9 180.00  -1.3180 2   180.00  -1.3180 2 
 41  40  39  96 9   0.00   0.5523 3     0.00   0.5523 3 
 41  40  39  97 9   0.00   1.3389 1     0.00   1.3389 1 
 41  40  39  97 9 180.00  -1.3180 2   180.00  -1.3180 2 
 41  40  39  97 9   0.00   0.5523 3     0.00   0.5523 3 
 41  42  43  44 9   0.00   1.7238 1     0.00   1.7238 1 
 41  42  43  44 9 180.00   0.2929 2   180.00   0.2929 2 
 41  42  43  44 9   0.00   0.6820 3     0.00   0.6820 3 
 42  41  40  98 9   0.00   1.3389 1     0.00   1.3389 1 
 42  41  40  98 9 180.00  -1.3180 2   180.00  -1.3180 2 
 42  41  40  98 9   0.00   0.5523 3     0.00   0.5523 3 
 42  41  40  99 9   0.00   1.3389 1     0.00   1.3389 1 
 42  41  40  99 9 180.00  -1.3180 2   180.00  -1.3180 2 
 42  41  40  99 9   0.00   0.5523 3     0.00   0.5523 3 
 43   1   2  45 9 180.00   4.1840 2   180.00   4.1840 2 
 43   1   4  47 9 180.00   4.1840 2   180.00   4.1840 2 
 43  42  41 100 9   0.00  -0.5356 1     0.00  -0.5356 1 
 43  42  41 100 9 180.00   0.1213 2   180.00   0.1213 2 
 43  42  41 101 9   0.00  -0.5356 1     0.00  -0.5356 1 
 43  42  41 101 9 180.00   0.1213 2   180.00   0.1213 2 
 44  43  42 102 9   0.00   1.3807 1     0.00   1.3807 1 
 44  43  42 102 9 180.00  -2.9455 2   180.00  -2.9455 2 
 44  43  42 102 9   0.00   0.6443 3     0.00   0.6443 3 
 44  43  42 103 9   0.00   1.3807 1     0.00   1.3807 1 
 44  43  42 103 9 180.00  -2.9455 2   180.00  -2.9455 2 
 44  43  42 103 9   0.00   0.6443 3     0.00   0.6443 3 
 45   2   3  46 9 180.00  14.6440 2   180.00  14.6440 2 
 46   3   6  49 9 180.00  14.6440 2   180.00  14.6440 2 
 47   4   5  48 9 180.00  14.6440 2   180.00  14.6440 2 
 48   5   6  49 9 180.00  14.6440 2   180.00  14.6440 2 
 49   7   8  51 9 180.00  14.6440 2   180.00  14.6440 2 
 49   7  10  53 9 180.00  14.6440 2   180.00  14.6440 2 
 51   8   9  52 9 180.00  14.6440 2   180.00  14.6440 2 
 52   9  12  55 9 180.00  14.6440 2   180.00  14.6440 2 
 53  10  11  54 9 180.00  14.6440 2   180.00  14.6440 2 
 54  11  12  55 9 180.00  14.6440 2   180.00  14.6440 2 
 55  13  14  57 9 180.00  14.6440 2   180.00  14.6440 2 
 55  13  16  59 9 180.00  14.6440 2   180.00  14.6440 2 
 57  14  15  58 9 180.00  14.6440 2   180.00  14.6440 2 
 58  15  18  61 9 180.00  14.6440 2   180.00  14.6440 2 
 59  16  17  60 9 180.00  14.6440 2   180.00  14.6440 2 
 60  17  18  61 9 180.00  14.6440 2   180.00  14.6440 2 
 61  19  20  63 9 180.00  14.6440 2   180.00  14.6440 2 
 61  19  24  69 9 180.00  14.6440 2   180.00  14.6440 2 
 63  20  21  64 9 180.00  14.6440 2   180.00  14.6440 2 
 64  21  22  65 9 180.00  14.6440 2   180.00  14.6440 2 
 65  22  23  68 9 180.00  14.6440 2   180.00  14.6440 2 
 68  23  24  69 9 180.00  14.6440 2   180.00  14.6440 2 
 70  26  25 104 9   0.00   0.5941 1     0.00   0.5941 1 
 70  26  25 104 9 180.00  -2.8995 2   180.00  -2.8995 2 
 70  26  25 104 9   0.00   0.6569 3     0.00   0.6569 3 
 70  26  25 105 9   0.00   0.5941 1     0.00   0.5941 1 
 70  26  25 105 9 180.00  -2.8995 2   180.00  -2.8995 2 
 70  26  25 105 9   0.00   0.6569 3     0.00   0.6569 3 
 70  26  25 106 9   0.00   0.5941 1     0.00   0.5941 1 
 70  26  25 106 9 180.00  -2.8995 2   180.00  -2.8995 2 
 70  26  25 106 9   0.00   0.6569 3     0.00   0.6569 3 
 70  26  27  72 9   0.00   0.5941 1     0.00   0.5941 1 
 70  26  27  72 9 180.00  -2.8995 2   180.00  -2.8995 2 
 70  26  27  72 9   0.00   0.6569 3     0.00   0.6569 3 
 70  26  27  73 9   0.00   0.5941 1     0.00   0.5941 1 
 70  26  27  73 9 180.00  -2.8995 2   180.00  -2.8995 2 
 70  26  27  73 9   0.00   0.6569 3     0.00   0.6569 3 
 71  26  25 104 9   0.00   0.5941 1     0.00   0.5941 1 
 71  26  25 104 9 180.00  -2.8995 2   180.00  -2.8995 2 
 71  26  25 104 9   0.00   0.6569 3     0.00   0.6569 3 
 71  26  25 105 9   0.00   0.5941 1     0.00   0.5941 1 
 71  26  25 105 9 180.00  -2.8995 2   180.00  -2.8995 2 
 71  26  25 105 9   0.00   0.6569 3     0.00   0.6569 3 
 71  26  25 106 9   0.00   0.5941 1     0.00   0.5941 1 
 71  26  25 106 9 180.00  -2.8995 2   180.00  -2.8995 2 
 71  26  25 106 9   0.00   0.6569 3     0.00   0.6569 3 
 71  26  27  72 9   0.00   0.5941 1     0.00   0.5941 1 
 71  26  27  72 9 180.00  -2.8995 2   180.00  -2.8995 2 
 71  26  27  72 9   0.00   0.6569 3     0.00   0.6569 3 
 71  26  27  73 9   0.00   0.5941 1     0.00   0.5941 1 
 71  26  27  73 9 180.00  -2.8995 2   180.00  -2.8995 2 
 71  26  27  73 9   0.00   0.6569 3     0.00   0.6569 3 
 72  27  28  74 9   0.00   0.5941 1     0.00   0.5941 1 
 72  27  28  74 9 180.00  -2.8995 2   180.00  -2.8995 2 
 72  27  28  74 9   0.00   0.6569 3     0.00   0.6569 3 
 72  27  28  75 9   0.00   0.5941 1     0.00   0.5941 1 
 72  27  28  75 9 180.00  -2.8995 2   180.00  -2.8995 2 
 72  27  28  75 9   0.00   0.6569 3     0.00   0.6569 3 
 73  27  28  74 9   0.00   0.5941 1     0.00   0.5941 1 
 73  27  28  74 9 180.00  -2.8995 2   180.00  -2.8995 2 
 73  27  28  74 9   0.00   0.6569 3     0.00   0.6569 3 
 73  27  28  75 9   0.00   0.5941 1     0.00   0.5941 1 
 73  27  28  75 9 180.00  -2.8995 2   180.00  -2.8995 2 
 73  27  28  75 9   0.00   0.6569 3     0.00   0.6569 3 
 74  28  29  76 9   0.00   0.5941 1     0.00   0.5941 1 
 74  28  29  76 9 180.00  -2.8995 2   180.00  -2.8995 2 
 74  28  29  76 9   0.00   0.6569 3     0.00   0.6569 3 
 74  28  29  77 9   0.00   0.5941 1     0.00   0.5941 1 
 74  28  29  77 9 180.00  -2.8995 2   180.00  -2.8995 2 
 74  28  29  77 9   0.00   0.6569 3     0.00   0.6569 3 
 75  28  29  76 9   0.00   0.5941 1     0.00   0.5941 1 
 75  28  29  76 9 180.00  -2.8995 2   180.00  -2.8995 2 
 75  28  29  76 9   0.00   0.6569 3     0.00   0.6569 3 
 75  28  29  77 9   0.00   0.5941 1     0.00   0.5941 1 
 75  28  29  77 9 180.00  -2.8995 2   180.00  -2.8995 2 
 75  28  29  77 9   0.00   0.6569 3     0.00   0.6569 3 
 76  29  30  78 9   0.00   0.5941 1     0.00   0.5941 1 
 76  29  30  78 9 180.00  -2.8995 2   180.00  -2.8995 2 
 76  29  30  78 9   0.00   0.6569 3     0.00   0.6569 3 
 76  29  30  79 9   0.00   0.5941 1     0.00   0.5941 1 
 76  29  30  79 9 180.00  -2.8995 2   180.00  -2.8995 2 
 76  29  30  79 9   0.00   0.6569 3     0.00   0.6569 3 
 77  29  30  78 9   0.00   0.5941 1     0.00   0.5941 1 
 77  29  30  78 9 180.00  -2.8995 2   180.00  -2.8995 2 
 77  29  30  78 9   0.00   0.6569 3     0.00   0.6569 3 
 77  29  30  79 9   0.00   0.5941 1     0.00   0.5941 1 
 77  29  30  79 9 180.00  -2.8995 2   180.00  -2.8995 2 
 77  29  30  79 9   0.00   0.6569 3     0.00   0.6569 3 
 78  30  31  80 9   0.00   0.5941 1     0.00   0.5941 1 
 78  30  31  80 9 180.00  -2.8995 2   180.00  -2.8995 2 
 78  30  31  80 9   0.00   0.6569 3     0.00   0.6569 3 
 78  30  31  81 9   0.00   0.5941 1     0.00   0.5941 1 
 78  30  31  81 9 180.00  -2.8995 2   180.00  -2.8995 2 
 78  30  31  81 9   0.00   0.6569 3     0.00   0.6569 3 
 79  30  31  80 9   0.00   0.5941 1     0.00   0.5941 1 
 79  30  31  80 9 180.00  -2.8995 2   180.00  -2.8995 2 
 79  30  31  80 9   0.00   0.6569 3     0.00   0.6569 3 
 79  30  31  81 9   0.00   0.5941 1     0.00   0.5941 1 
 79  30  31  81 9 180.00  -2.8995 2   180.00  -2.8995 2 
 79  30  31  81 9   0.00   0.6569 3     0.00   0.6569 3 
 80  31  32  82 9   0.00   0.5941 1     0.00   0.5941 1 
 80  31  32  82 9 180.00  -2.8995 2   180.00  -2.8995 2 
 80  31  32  82 9   0.00   0.6569 3     0.00   0.6569 3 
 80  31  32  83 9   0.00   0.5941 1     0.00   0.5941 1 
 80  31  32  83 9 180.00  -2.8995 2   180.00  -2.8995 2 
 80  31  32  83 9   0.00   0.6569 3     0.00   0.6569 3 
 81  31  32  82 9   0.00   0.5941 1     0.00   0.5941 1 
 81  31  32  82 9 180.00  -2.8995 2   180.00  -2.8995 2 
 81  31  32  82 9   0.00   0.6569 3     0.00   0.6569 3 
 81  31  32  83 9   0.00   0.5941 1     0.00   0.5941 1 
 81  31  32  83 9 180.00  -2.8995 2   180.00  -2.8995 2 
 81  31  32  83 9   0.00   0.6569 3     0.00   0.6569 3 
 82  32  33  84 9   0.00   0.5941 1     0.00   0.5941 1 
 82  32  33  84 9 180.00  -2.8995 2   180.00  -2.8995 2 
 82  32  33  84 9   0.00   0.6569 3     0.00   0.6569 3 
 82  32  33  85 9   0.00   0.5941 1     0.00   0.5941 1 
 82  32  33  85 9 180.00  -2.8995 2   180.00  -2.8995 2 
 82  32  33  85 9   0.00   0.6569 3     0.00   0.6569 3 
 83  32  33  84 9   0.00   0.5941 1     0.00   0.5941 1 
 83  32  33  84 9 180.00  -2.8995 2   180.00  -2.8995 2 
 83  32  33  84 9   0.00   0.6569 3     0.00   0.6569 3 
 83  32  33  85 9   0.00   0.5941 1     0.00   0.5941 1 
 83  32  33  85 9 180.00  -2.8995 2   180.00  -2.8995 2 
 83  32  33  85 9   0.00   0.6569 3     0.00   0.6569 3 
 84  33  34  86 9   0.00   0.5941 1     0.00   0.5941 1 
 84  33  34  86 9 180.00  -2.8995 2   180.00  -2.8995 2 
 84  33  34  86 9   0.00   0.6569 3     0.00   0.6569 3 
 84  33  34  87 9   0.00   0.5941 1     0.00   0.5941 1 
 84  33  34  87 9 180.00  -2.8995 2   180.00  -2.8995 2 
 84  33  34  87 9   0.00   0.6569 3     0.00   0.6569 3 
 85  33  34  86 9   0.00   0.5941 1     0.00   0.5941 1 
 85  33  34  86 9 180.00  -2.8995 2   180.00  -2.8995 2 
 85  33  34  86 9   0.00   0.6569 3     0.00   0.6569 3 
 85  33  34  87 9   0.00   0.5941 1     0.00   0.5941 1 
 85  33  34  87 9 180.00  -2.8995 2   180.00  -2.8995 2 
 85  33  34  87 9   0.00   0.6569 3     0.00   0.6569 3 
 86  34  35  88 9   0.00   0.5941 1     0.00   0.5941 1 
 86  34  35  88 9 180.00  -2.8995 2   180.00  -2.8995 2 
 86  34  35  88 9   0.00   0.6569 3     0.00   0.6569 3 
 86  34  35  89 9   0.00   0.5941 1     0.00   0.5941 1 
 86  34  35  89 9 180.00  -2.8995 2   180.00  -2.8995 2 
 86  34  35  89 9   0.00   0.6569 3     0.00   0.6569 3 
 87  34  35  88 9   0.00   0.5941 1     0.00   0.5941 1 
 87  34  35  88 9 180.00  -2.8995 2   180.00  -2.8995 2 
 87  34  35  88 9   0.00   0.6569 3     0.00   0.6569 3 
 87  34  35  89 9   0.00   0.5941 1     0.00   0.5941 1 
 87  34  35  89 9 180.00  -2.8995 2   180.00  -2.8995 2 
 87  34  35  89 9   0.00   0.6569 3     0.00   0.6569 3 
 88  35  36  90 9   0.00   0.5941 1     0.00   0.5941 1 
 88  35  36  90 9 180.00  -2.8995 2   180.00  -2.8995 2 
 88  35  36  90 9   0.00   0.6569 3     0.00   0.6569 3 
 88  35  36  91 9   0.00   0.5941 1     0.00   0.5941 1 
 88  35  36  91 9 180.00  -2.8995 2   180.00  -2.8995 2 
 88  35  36  91 9   0.00   0.6569 3     0.00   0.6569 3 
 89  35  36  90 9   0.00   0.5941 1     0.00   0.5941 1 
 89  35  36  90 9 180.00  -2.8995 2   180.00  -2.8995 2 
 89  35  36  90 9   0.00   0.6569 3     0.00   0.6569 3 
 89  35  36  91 9   0.00   0.5941 1     0.00   0.5941 1 
 89  35  36  91 9 180.00  -2.8995 2   180.00  -2.8995 2 
 89  35  36  91 9   0.00   0.6569 3     0.00   0.6569 3 
 90  36  37  92 9   0.00   0.5941 1     0.00   0.5941 1 
 90  36  37  92 9 180.00  -2.8995 2   180.00  -2.8995 2 
 90  36  37  92 9   0.00   0.6569 3     0.00   0.6569 3 
 90  36  37  93 9   0.00   0.5941 1     0.00   0.5941 1 
 90  36  37  93 9 180.00  -2.8995 2   180.00  -2.8995 2 
 90  36  37  93 9   0.00   0.6569 3     0.00   0.6569 3 
 91  36  37  92 9   0.00   0.5941 1     0.00   0.5941 1 
 91  36  37  92 9 180.00  -2.8995 2   180.00  -2.8995 2 
 91  36  37  92 9   0.00   0.6569 3     0.00   0.6569 3 
 91  36  37  93 9   0.00   0.5941 1     0.00   0.5941 1 
 91  36  37  93 9 180.00  -2.8995 2   180.00  -2.8995 2 
 91  36  37  93 9   0.00   0.6569 3     0.00   0.6569 3 
 92  37  38  94 9   0.00   0.5941 1     0.00   0.5941 1 
 92  37  38  94 9 180.00  -2.8995 2   180.00  -2.8995 2 
 92  37  38  94 9   0.00   0.6569 3     0.00   0.6569 3 
 92  37  38  95 9   0.00   0.5941 1     0.00   0.5941 1 
 92  37  38  95 9 180.00  -2.8995 2   180.00  -2.8995 2 
 92  37  38  95 9   0.00   0.6569 3     0.00   0.6569 3 
 93  37  38  94 9   0.00   0.5941 1     0.00   0.5941 1 
 93  37  38  94 9 180.00  -2.8995 2   180.00  -2.8995 2 
 93  37  38  94 9   0.00   0.6569 3     0.00   0.6569 3 
 93  37  38  95 9   0.00   0.5941 1     0.00   0.5941 1 
 93  37  38  95 9 180.00  -2.8995 2   180.00  -2.8995 2 
 93  37  38  95 9   0.00   0.6569 3     0.00   0.6569 3 
 94  38  39  96 9   0.00   0.5941 1     0.00   0.5941 1 
 94  38  39  96 9 180.00  -2.8995 2   180.00  -2.8995 2 
 94  38  39  96 9   0.00   0.6569 3     0.00   0.6569 3 
 94  38  39  97 9   0.00   0.5941 1     0.00   0.5941 1 
 94  38  39  97 9 180.00  -2.8995 2   180.00  -2.8995 2 
 94  38  39  97 9   0.00   0.6569 3     0.00   0.6569 3 
 95  38  39  96 9   0.00   0.5941 1     0.00   0.5941 1 
 95  38  39  96 9 180.00  -2.8995 2   180.00  -2.8995 2 
 95  38  39  96 9   0.00   0.6569 3     0.00   0.6569 3 
 95  38  39  97 9   0.00   0.5941 1     0.00   0.5941 1 
 95  38  39  97 9 180.00  -2.8995 2   180.00  -2.8995 2 
 95  38  39  97 9   0.00   0.6569 3     0.00   0.6569 3 
 96  39  40  98 9   0.00   0.5941 1     0.00   0.5941 1 
 96  39  40  98 9 180.00  -2.8995 2   180.00  -2.8995 2 
 96  39  40  98 9   0.00   0.6569 3     0.00   0.6569 3 
 96  39  40  99 9   0.00   0.5941 1     0.00   0.5941 1 
 96  39  40  99 9 180.00  -2.8995 2   180.00  -2.8995 2 
 96  39  40  99 9   0.00   0.6569 3     0.00   0.6569 3 
 97  39  40  98 9   0.00   0.5941 1     0.00   0.5941 1 
 97  39  40  98 9 180.00  -2.8995 2   180.00  -2.8995 2 
 97  39  40  98 9   0.00   0.6569 3     0.00   0.6569 3 
 97  39  40  99 9   0.00   0.5941 1     0.00   0.5941 1 
 97  39  40  99 9 180.00  -2.8995 2   180.00  -2.8995 2 
 97  39  40  99 9   0.00   0.6569 3     0.00   0.6569 3 
 98  40  41 100 9   0.00   0.5941 1     0.00   0.5941 1 
 98  40  41 100 9 180.00  -2.8995 2   180.00  -2.8995 2 
 98  40  41 100 9   0.00   0.6569 3     0.00   0.6569 3 
 98  40  41 101 9   0.00   0.5941 1     0.00   0.5941 1 
 98  40  41 101 9 180.00  -2.8995 2   180.00  -2.8995 2 
 98  40  41 101 9   0.00   0.6569 3     0.00   0.6569 3 
 99  40  41 100 9   0.00   0.5941 1     0.00   0.5941 1 
 99  40  41 100 9 180.00  -2.8995 2   180.00  -2.8995 2 
 99  40  41 100 9   0.00   0.6569 3     0.00   0.6569 3 
 99  40  41 101 9   0.00   0.5941 1     0.00   0.5941 1 
 99  40  41 101 9 180.00  -2.8995 2   180.00  -2.8995 2 
 99  40  41 101 9   0.00   0.6569 3     0.00   0.6569 3 
100  41  42 102 9   0.00   0.5941 1     0.00   0.5941 1 
100  41  42 102 9 180.00  -2.8995 2   180.00  -2.8995 2 
100  41  42 102 9   0.00   0.6569 3     0.00   0.6569 3 
100  41  42 103 9   0.00   0.5941 1     0.00   0.5941 1 
100  41  42 103 9 180.00  -2.8995 2   180.00  -2.8995 2 
100  41  42 103 9   0.00   0.6569 3     0.00   0.6569 3 
101  41  42 102 9   0.00   0.5941 1     0.00   0.5941 1 
101  41  42 102 9 180.00  -2.8995 2   180.00  -2.8995 2 
101  41  42 102 9   0.00   0.6569 3     0.00   0.6569 3 
101  41  42 103 9   0.00   0.5941 1     0.00   0.5941 1 
101  41  42 103 9 180.00  -2.8995 2   180.00  -2.8995 2 
101  41  42 103 9   0.00   0.6569 3     0.00   0.6569 3 

[ dihedrals ]
; ai aj ak al fu xi0 kxi xi0 kxi 
  1   2   4  43 2   0.00  16.2590     0.00  16.2590
  2   3   1  45 2   0.00   9.0291     0.00   9.0291
  4   5   1  47 2   0.00   9.0291     0.00   9.0291
  3   6   2  46 2   0.00   9.0291     0.00   9.0291
 43  42   1  44 2   0.00  83.1026     0.00  83.1026
 42  41  43 102 2   0.00   0.0000     0.00   0.0000
 42  41  43 103 2   0.00   0.0000     0.00   0.0000
 41  40  42 100 2   0.00   0.0000     0.00   0.0000
 41  40  42 101 2   0.00   0.0000     0.00   0.0000
 40  39  41  98 2   0.00   0.0000     0.00   0.0000
 40  39  41  99 2   0.00   0.0000     0.00   0.0000
 39  38  40  96 2   0.00   0.0000     0.00   0.0000
 39  38  40  97 2   0.00   0.0000     0.00   0.0000
 38  37  39  94 2   0.00   0.0000     0.00   0.0000
 38  37  39  95 2   0.00   0.0000     0.00   0.0000
 37  36  38  92 2   0.00   0.0000     0.00   0.0000
 37  36  38  93 2   0.00   0.0000     0.00   0.0000
 36  35  37  90 2   0.00   0.0000     0.00   0.0000
 36  35  37  91 2   0.00   0.0000     0.00   0.0000
 35  34  36  88 2   0.00   0.0000     0.00   0.0000
 35  34  36  89 2   0.00   0.0000     0.00   0.0000
 34  33  35  86 2   0.00   0.0000     0.00   0.0000
 34  33  35  87 2   0.00   0.0000     0.00   0.0000
 33  32  34  84 2   0.00   0.0000     0.00   0.0000
 33  32  34  85 2   0.00   0.0000     0.00   0.0000
 32  31  33  82 2   0.00   0.0000     0.00   0.0000
 32  31  33  83 2   0.00   0.0000     0.00   0.0000
 31  30  32  80 2   0.00   0.0000     0.00   0.0000
 31  30  32  81 2   0.00   0.0000     0.00   0.0000
 30  29  31  78 2   0.00   0.0000     0.00   0.0000
 30  29  31  79 2   0.00   0.0000     0.00   0.0000
 29  28  30  76 2   0.00   0.0000     0.00   0.0000
 29  28  30  77 2   0.00   0.0000     0.00   0.0000
 28  27  29  74 2   0.00   0.0000     0.00   0.0000
 28  27  29  75 2   0.00   0.0000     0.00   0.0000
 27  26  28  72 2   0.00   0.0000     0.00   0.0000
 27  26  28  73 2   0.00   0.0000     0.00   0.0000
 26  25  27  70 2   0.00   0.0000     0.00   0.0000
 26  25  27  71 2   0.00   0.0000     0.00   0.0000
  5   6   4  48 2   0.00   9.0291     0.00   9.0291
  6   5   3  49 2   0.00  27.6981     0.00  27.6981
 49   7   6  50 2   0.00  -3.0125     0.00  -3.0125
  7  10  49   8 2   0.00  27.6981     0.00  27.6981
  8   9   7  51 2   0.00   9.0291     0.00   9.0291
 10  11   7  53 2   0.00   9.0291     0.00   9.0291
  9  12   8  52 2   0.00   9.0291     0.00   9.0291
 11  12  10  54 2   0.00   9.0291     0.00   9.0291
 12  11   9  55 2   0.00  27.6981     0.00  27.6981
 55  13  12  56 2   0.00  -3.0125     0.00  -3.0125
 13  16  55  14 2   0.00  27.6981     0.00  27.6981
 14  15  13  57 2   0.00   9.0291     0.00   9.0291
 16  17  13  59 2   0.00   9.0291     0.00   9.0291
 15  18  14  58 2   0.00   9.0291     0.00   9.0291
 17  18  16  60 2   0.00   9.0291     0.00   9.0291
 18  17  15  61 2   0.00  27.6981     0.00  27.6981
 61  19  18  62 2   0.00  -3.0125     0.00  -3.0125
 19  24  61  20 2   0.00  27.6981     0.00  27.6981
 20  21  19  63 2   0.00   9.0291     0.00   9.0291
 21  22  20  64 2   0.00   9.0291     0.00   9.0291
 22  65  21  23 2   0.00  27.6981     0.00  27.6981
 65  66  22  67 2   0.00   2.4100     0.00   2.4100
 23  24  22  68 2   0.00   9.0291     0.00   9.0291
 24  23  19  69 2   0.00   9.0291     0.00   9.0291
 25 104  26 105 2   0.00   0.0000     0.00   0.0000
 25 104  26 106 2   0.00   0.0000     0.00   0.0000


#ifdef POSRES_LIGAND 
[ position_restraints ] 
; atom  type      fx      fy      fz 
   1 1 1000 1000 1000 
   2 1 1000 1000 1000 
   3 1 1000 1000 1000 
   4 1 1000 1000 1000 
   5 1 1000 1000 1000 
   6 1 1000 1000 1000 
   7 1 1000 1000 1000 
   8 1 1000 1000 1000 
   9 1 1000 1000 1000 
  10 1 1000 1000 1000 
  11 1 1000 1000 1000 
  12 1 1000 1000 1000 
  13 1 1000 1000 1000 
  14 1 1000 1000 1000 
  15 1 1000 1000 1000 
  16 1 1000 1000 1000 
  17 1 1000 1000 1000 
  18 1 1000 1000 1000 
  19 1 1000 1000 1000 
  20 1 1000 1000 1000 
  21 1 1000 1000 1000 
  22 1 1000 1000 1000 
  23 1 1000 1000 1000 
  24 1 1000 1000 1000 
  25 1 1000 1000 1000 
  26 1 1000 1000 1000 
  27 1 1000 1000 1000 
  28 1 1000 1000 1000 
  29 1 1000 1000 1000 
  30 1 1000 1000 1000 
  31 1 1000 1000 1000 
  32 1 1000 1000 1000 
  33 1 1000 1000 1000 
  34 1 1000 1000 1000 
  35 1 1000 1000 1000 
  36 1 1000 1000 1000 
  37 1 1000 1000 1000 
  38 1 1000 1000 1000 
  39 1 1000 1000 1000 
  40 1 1000 1000 1000 
  41 1 1000 1000 1000 
  42 1 1000 1000 1000 
  43 1 1000 1000 1000 
  44 1 1000 1000 1000 
  49 1 1000 1000 1000 
  55 1 1000 1000 1000 
  61 1 1000 1000 1000 
  65 1 1000 1000 1000 
#endif 


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