* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    139    225     406
    1     0 S   NP   _N1_     1    28.93557    96.22524   -25.25665
    2     1 S   H    _HN1     2     1.02795   117.82848   -98.45498
    3     1 S   H    _H1_     3     1.02949    71.15710     2.87290
    4     1 S   H    _H2_     4     1.02827    35.99915   179.35928
    5     1 S   CT   _CA1     5     1.50122   126.39421   104.79025
    6     5 S   HC   _HA1     6     1.09572   105.17396    96.58962
    7     5 S   CO3  _C1_     7     1.53760   112.45281   -23.68296
    8     7 S   O2Z  _O11     8     1.26379   114.99459   -42.82489
    9     7 S   O2Z  _O12     9     1.26223   114.93608   136.19246
   10     5 S   CT   _CB1    10     1.53046   107.41399  -145.38923
   11    10 S   HC   HB11    11     1.09845   109.36867   -49.02054
   12    10 S   HC   HB12    12     1.09811   110.46356    67.57209
   13    10 S   CT   _CG1    13     1.53036   112.64465  -169.92331
   14    13 S   HC   HG11    14     1.09565   110.80552   -67.22761
   15    13 S   HC   HG12    15     1.09665   109.67038    52.04605
   16    13 S   C    _CD1    16     1.51798   111.82544   172.61358
   17    16 S   O    _OE1    17     1.22764   123.11348    15.17594
   18    16 S   N    _N2_    18     1.38626   111.94186  -165.11031
   19    18 S   H    _HN2    19     1.01610   119.05398     1.25990
   20    18 S   CT1  _CA2    20     1.46205   123.27721   176.02246
   21    20 S   HC   _HA2    21     1.09745   109.30995     5.62985
   22    20 S   C    _C2_    22     1.53629   108.90742  -109.70244
   23    22 S   O    _O2_    23     1.23064   122.21465  -149.71811
   24    20 S   CT   _CB2    32     1.53175   111.52882   127.57318
   25    24 S   HC   HB21    33     1.09613   110.20263    55.39645
   26    24 S   HC   HB22    34     1.09516   110.36657   173.96948
   27    22 S   N    _N3_    24     1.38325   113.79802    38.03039
   28    27 S   H    _HN3    25     1.01547   119.60679    -3.89290
   29    24 S   S    _SG2    35     1.83101   111.34909   -66.03984
   30    27 S   CT   _CA3    26     1.45278   123.28288   177.03027
   31    30 S   HC   HA31    27     1.09550   107.59584   -62.04705
   32    30 S   HC   HA32    28     1.09553   107.89812    54.39454
   33    29 S   CA   _C16    36     1.81166    98.49977   177.47656
   34    30 S   CO3  _C3_    29     1.52985   114.02685   176.26126
   35    34 S   O2Z  _O31    30     1.26392   116.07623    -2.32776
   36    34 S   O2Z  _O32    31     1.26429   114.43559   177.69505
   37    33 S   CA   _C20    37     1.41898   120.03799   -89.44336
   38    37 S   Br   BR35    38     1.91397   120.88556    -1.74675
   39    37 S   CA   _C13    39     1.40074   119.57665   177.56747
   40    39 S   CA   _C10    40     1.39225   119.56813     1.71942
   41    40 S   CA   _C19    41     1.39417   122.70807    -0.42613
   42    41 S   Br   BR34    42     1.90716   119.99392   179.52522
   43    40 S   CO4  _C22    45     1.46510   108.73753   178.39088
   44    43 S   O    _O23    46     1.21391   128.55891   179.54286
   45    33 S   CA   _C21    43     1.42399   120.44648    90.24330
   46    45 S   Br   BR36    44     1.92494   120.04235     1.98909
   47    43 S   OS   _O28    47     1.36029   106.33699    -1.73697
   48    39 S   CT   _C23    48     1.51295   130.78395  -177.81188
   49    48 S   CA   _C11    49     1.53915   112.72699   -63.03475
   50    48 S   CA   _C12    64     1.53811   116.29728    74.67607
   51    49 S   CA   _C4_    50     1.40976   120.13303   -65.56830
   52    51 S   HA   _H37    51     1.08767   120.61702    -0.70665
   53    50 S   CA   _C5_    65     1.41024   119.56219   169.40898
   54    53 S   HA   _H38    66     1.08850   120.22980     0.66086
   55    51 S   CA   _C6_    52     1.39754   121.50827   179.25612
   56    55 S   HA   _H39    53     1.08653   119.12413   179.80923
   57    53 S   CA   _C7_    67     1.39786   121.53050  -179.49448
   58    57 S   HA   _H40    68     1.08702   119.39709  -179.40851
   59    55 S   CA   _C14    54     1.39165   119.99957    -0.25488
   60    57 S   CA   _C15    69     1.39207   120.31930     0.63551
   61    59 S   CA   _C17    55     1.39404   119.56719    -0.21306
   62    59 S   OH   _O29    62     1.36546   119.66494   179.97202
   63    62 S   HO   _H43    63     0.97164   109.13182    -0.22985
   64    60 S   CA   _C18    70     1.39223   119.22110     0.61548
   65    60 S   OH   _O30    77     1.36438   116.19506   180.00000
   66    65 S   HO   _H44    78     0.97492   108.70767   177.34568
   67    49 S   CA   _C8_    56     1.40763   122.28212   112.83117
   68    67 S   HA   _H41    57     1.08606   119.70931     0.05234
   69    61 S   SY   _S32    58     1.80236   119.93684  -179.76593
   70    69 S   OY   _O21    59     1.46051   103.99635  -179.70725
   71    69 S   OY   _O24    60     1.46028   102.29534   -60.08509
   72    69 S   OY   _O25    61     1.46008   102.29016    60.56495
   73    50 S   CA   _C9_    71     1.40436   123.18178    -8.06212
   74    73 S   HA   _H42    72     1.08549   120.89657     0.22900
   75    64 S   SY   _S33    73     1.80199   123.28471   179.51705
   76    75 S   OY   _O22    74     1.45973   101.70816  -111.15989
   77    75 S   OY   _O26    75     1.45980   104.07663     8.90166
   78    75 S   OY   _O27    76     1.46037   102.31092   128.73963
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
   9   2   1   1  11   4  14  10   7   3   6   2   1   1   7  14
  12  11   8   4   8   4   7   3   7   3   9   9   8   3   1   8
   3   1   5   1   3   2   1   1   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    45    46    48  
   35    36  
   36  
    0  
   38    39    40    41    45    46    43    47    48    49    50  
   39    40    45    48  
   40    41    42    45    43    44    47    48    49    51    67    50    53    73  
   41    42    45    46    43    44    47    48    49    50  
   42    45    46    43    44    47    48  
   45    46    43  
   44    47    48    49    50    45  
   47    48  
   46  
    0  
   48    49    51    67    50    53    73  
   49    51    52    55    61    67    68    50    53    54    57    64    73    74  
   51    52    55    56    59    61    67    68    69    50    53    73  
   53    54    57    58    60    64    73    74    75    51    67  
   52    55    56    59    61    67    68    62  
   55    56    59    67  
   54    57    58    60    64    73    74    65  
   57    58    60    73  
   56    59    61    67    69    62    63  
   59    61    62  
   58    60    64    73    75    65    66  
   60    64    65  
   61    67    68    69    70    71    72    62    63  
   64    73    74    75    76    77    78    65    66  
   67    68    69    70    71    72    62    63  
   63    67    69  
    0  
   73    74    75    76    77    78    65    66  
   66    73    75  
    0  
   68    69    70    71    72  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78  
   75  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   39   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   43   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.375400   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.2500   1.291800   2.0025   1.7750   0.025682759  -1.666211680
   70   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   71   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   72   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.2500   1.291800   2.0025   1.7750   0.025682759  -1.666211680
   76   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   77   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   78   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   250.000  1.760
   33    37   469.000  1.400
   33    45   469.000  1.400
   37    38   300.000  1.903
   37    39   469.000  1.400
   39    40   469.000  1.400
   39    48   317.000  1.510
   40    41   469.000  1.400
   40    43   310.000  1.470
   41    42   300.000  1.903
   41    45   469.000  1.400
   45    46   300.000  1.903
   43    44   570.000  1.229
   43    47   214.000  1.327
   47    48   320.000  1.410
   48    49   317.000  1.510
   48    50   317.000  1.510
   49    51   469.000  1.400
   49    67   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    61   469.000  1.400
   59    62   450.000  1.364
   61    67   469.000  1.400
   61    69   225.000  1.779
   67    68   367.000  1.080
   69    70   735.000  1.471
   69    71   735.000  1.471
   69    72   735.000  1.471
   62    63   553.000  0.945
   50    53   469.000  1.400
   50    73   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    64   469.000  1.400
   60    65   450.000  1.364
   64    73   469.000  1.400
   64    75   225.000  1.779
   73    74   367.000  1.080
   75    76   735.000  1.471
   75    77   735.000  1.471
   75    78   735.000  1.471
   65    66   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    45    85.00000  119.40000
   33    37    38    75.00000  120.00000
   33    37    39    63.00000  120.00000
   33    45    41    63.00000  120.00000
   33    45    46    75.00000  120.00000
   37    39    40    63.00000  120.00000
   37    39    48    70.00000  120.00000
   39    37    38    75.00000  120.00000
   39    40    41    63.00000  120.00000
   39    40    43    60.00000  119.52600
   39    48    47    85.00000  111.85700
   39    48    49    70.00000  112.04700
   39    48    50    70.00000  112.04700
   40    41    42    75.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    75.00000  123.78400
   40    43    47    81.00000  111.40000
   41    45    46    75.00000  120.00000
   45    33    37    63.00000  120.00000
   45    41    42    75.00000  120.00000
   43    40    41    60.00000  119.52600
   43    47    48    83.00000  116.90000
   47    43    44    83.00000  123.40000
   47    48    49    85.00000  111.85700
   47    48    50    85.00000  111.85700
   48    39    40    70.00000  120.00000
   48    49    51    70.00000  120.00000
   48    49    67    70.00000  120.00000
   48    50    53    70.00000  120.00000
   48    50    73    70.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    55    63.00000  120.00000
   49    67    61    63.00000  120.00000
   49    67    68    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    59    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    59    61    63.00000  120.00000
   55    59    62    70.00000  120.00000
   59    55    56    35.00000  120.00000
   59    61    67    63.00000  120.00000
   59    61    69    65.00000  117.06700
   59    62    63    35.00000  113.00000
   61    67    68    35.00000  120.00000
   61    69    70   100.00000  107.67100
   61    69    71   100.00000  107.67100
   61    69    72   100.00000  107.67100
   67    49    51    63.00000  120.00000
   69    61    67    65.00000  117.06700
   71    69    70   115.00000  120.17200
   72    69    70   115.00000  120.17200
   72    69    71   115.00000  120.17200
   62    59    61    70.00000  120.00000
   50    48    49    70.00000  112.04700
   50    53    54    35.00000  120.00000
   50    53    57    63.00000  120.00000
   50    73    64    63.00000  120.00000
   50    73    74    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    60    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    60    64    63.00000  120.00000
   57    60    65    70.00000  120.00000
   60    57    58    35.00000  120.00000
   60    64    73    63.00000  120.00000
   60    64    75    65.00000  117.06700
   60    65    66    35.00000  113.00000
   64    73    74    35.00000  120.00000
   64    75    76   100.00000  107.67100
   64    75    77   100.00000  107.67100
   64    75    78   100.00000  107.67100
   73    50    53    63.00000  120.00000
   75    64    73    65.00000  117.06700
   77    75    76   115.00000  120.17200
   78    75    76   115.00000  120.17200
   78    75    77   115.00000  120.17200
   65    60    64    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.63250 -1.0 2.0
   24    29    33    45   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    39   3.62500 -1.0 2.0
   29    33    45    41   3.62500 -1.0 2.0
   29    33    45    46   3.62500 -1.0 2.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    48   3.62500 -1.0 2.0
   37    33    45    41   3.62500 -1.0 2.0
   37    33    45    46   3.62500 -1.0 2.0
   37    39   -40    41   3.62500 -1.0 2.0
   37    39    40    43   3.62500 -1.0 2.0
   37    39    48    47   0.64500  1.0 1.0
   37    39    48    47   0.14800 -1.0 2.0
   37    39    48    47   0.20650  1.0 3.0
   37    39    48    49   0.04300 -1.0 2.0
   37    39    48    50   0.04300 -1.0 2.0
   38    37    39    40   3.62500 -1.0 2.0
   38    37    39    48   3.62500 -1.0 2.0
   39    40    41    42   3.62500 -1.0 2.0
   39    40    41    45   3.62500 -1.0 2.0
   39    40    43    44   1.05000 -1.0 2.0
   39    40   -43    47   0.98750 -1.0 2.0
   39    48    49    51   0.04300 -1.0 2.0
   39    48    49    67   0.04300 -1.0 2.0
   39    48    50    53   0.04300 -1.0 2.0
   39    48    50    73   0.04300 -1.0 2.0
   40    39   -48    47   0.64500  1.0 1.0
   40    39   -48    47   0.14800 -1.0 2.0
   40    39   -48    47   0.20650  1.0 3.0
   40    39    48    49   0.04300 -1.0 2.0
   40    39    48    50   0.04300 -1.0 2.0
   40    41   -45    33   3.62500 -1.0 2.0
   40    41    45    46   3.62500 -1.0 2.0
   40    43   -47    48   0.59950  1.0 1.0
   40    43   -47    48   3.24850 -1.0 2.0
   41    40    43    44   1.05000 -1.0 2.0
   41    40    43    47   0.98750 -1.0 2.0
   42    41    45    33   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   45    33    37    38   3.62500 -1.0 2.0
   45    33   -37    39   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    47   -48    39  -0.43900 -1.0 2.0
   43    47   -48    39   0.14100  1.0 3.0
   43    47    48    49  -0.43900 -1.0 2.0
   43    47    48    49   0.14100  1.0 3.0
   43    47    48    50  -0.43900 -1.0 2.0
   43    47    48    50   0.14100  1.0 3.0
   44    43    47    48   3.00000 -1.0 2.0
   47    48    49    51   0.64500  1.0 1.0
   47    48    49    51   0.14800 -1.0 2.0
   47    48    49    51   0.20650  1.0 3.0
   47    48    49    67   0.64500  1.0 1.0
   47    48    49    67   0.14800 -1.0 2.0
   47    48    49    67   0.20650  1.0 3.0
   47    48    50    53   0.64500  1.0 1.0
   47    48    50    53   0.14800 -1.0 2.0
   47    48    50    53   0.20650  1.0 3.0
   47    48    50    73   0.64500  1.0 1.0
   47    48    50    73   0.14800 -1.0 2.0
   47    48    50    73   0.20650  1.0 3.0
   48    39    40    41   3.62500 -1.0 2.0
   48    39   -40    43   3.62500 -1.0 2.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    51    55   3.62500 -1.0 2.0
   48    49    67    61   3.62500 -1.0 2.0
   48    49    67    68   3.62500 -1.0 2.0
   48    50    53    54   3.62500 -1.0 2.0
   48    50    53    57   3.62500 -1.0 2.0
   48    50    73    64   3.62500 -1.0 2.0
   48    50    73    74   3.62500 -1.0 2.0
   49    48    50    53   0.04300 -1.0 2.0
   49    48    50    73   0.04300 -1.0 2.0
   49    51    55    56   3.62500 -1.0 2.0
   49    51    55    59   3.62500 -1.0 2.0
   51    49    67    61   3.62500 -1.0 2.0
   51    49    67    68   3.62500 -1.0 2.0
   51    55   -59    61   3.62500 -1.0 2.0
   51    55    59    62   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    59   3.62500 -1.0 2.0
   55    59    61    67   3.62500 -1.0 2.0
   55    59    61    69   3.62500 -1.0 2.0
   55    59    62    63   0.84100 -1.0 2.0
   56    55    59    61   3.62500 -1.0 2.0
   56    55    59    62   3.62500 -1.0 2.0
   59    61   -67    49   3.62500 -1.0 2.0
   59    61    67    68   3.62500 -1.0 2.0
   59    61    69    70   0.19500  1.0 1.0
   59    61    69    70   0.12000 -1.0 2.0
   59    61    69    71   0.19500  1.0 1.0
   59    61    69    71   0.12000 -1.0 2.0
   59    61    69    72   0.19500  1.0 1.0
   59    61    69    72   0.12000 -1.0 2.0
   61    59    62    63   0.84100 -1.0 2.0
   67    49    51    52   3.62500 -1.0 2.0
   67    49   -51    55   3.62500 -1.0 2.0
   67    61    69    70   0.19500  1.0 1.0
   67    61    69    70   0.12000 -1.0 2.0
   67    61    69    71   0.19500  1.0 1.0
   67    61    69    71   0.12000 -1.0 2.0
   67    61    69    72   0.19500  1.0 1.0
   67    61    69    72   0.12000 -1.0 2.0
   69    61    67    49   3.62500 -1.0 2.0
   69    61    67    68   3.62500 -1.0 2.0
   62    59    61    67   3.62500 -1.0 2.0
   62    59    61    69   3.62500 -1.0 2.0
   50    48    49    51   0.04300 -1.0 2.0
   50    48    49    67   0.04300 -1.0 2.0
   50    53    57    58   3.62500 -1.0 2.0
   50    53    57    60   3.62500 -1.0 2.0
   53    50    73    64   3.62500 -1.0 2.0
   53    50    73    74   3.62500 -1.0 2.0
   53    57   -60    64   3.62500 -1.0 2.0
   53    57    60    65   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    60   3.62500 -1.0 2.0
   57    60    64    73   3.62500 -1.0 2.0
   57    60    64    75   3.62500 -1.0 2.0
   57    60    65    66   0.84100 -1.0 2.0
   58    57    60    64   3.62500 -1.0 2.0
   58    57    60    65   3.62500 -1.0 2.0
   60    64   -73    50   3.62500 -1.0 2.0
   60    64    73    74   3.62500 -1.0 2.0
   60    64    75    76   0.19500  1.0 1.0
   60    64    75    76   0.12000 -1.0 2.0
   60    64    75    77   0.19500  1.0 1.0
   60    64    75    77   0.12000 -1.0 2.0
   60    64    75    78   0.19500  1.0 1.0
   60    64    75    78   0.12000 -1.0 2.0
   64    60    65    66   0.84100 -1.0 2.0
   73    50    53    54   3.62500 -1.0 2.0
   73    50   -53    57   3.62500 -1.0 2.0
   73    64    75    76   0.19500  1.0 1.0
   73    64    75    76   0.12000 -1.0 2.0
   73    64    75    77   0.19500  1.0 1.0
   73    64    75    77   0.12000 -1.0 2.0
   73    64    75    78   0.19500  1.0 1.0
   73    64    75    78   0.12000 -1.0 2.0
   75    64    73    50   3.62500 -1.0 2.0
   75    64    73    74   3.62500 -1.0 2.0
   65    60    64    73   3.62500 -1.0 2.0
   65    60    64    75   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    45    33    29   4.00000 -1.0 2.0
   39    38    37    33   4.00000 -1.0 2.0
   40    48    39    37   4.00000 -1.0 2.0
   41    43    40    39   4.00000 -1.0 2.0
   45    42    41    40   4.00000 -1.0 2.0
   41    46    45    33   4.00000 -1.0 2.0
   40    47    43    44  10.50000 -1.0 2.0
   51    67    49    48   4.00000 -1.0 2.0
   55    52    51    49   1.10000 -1.0 2.0
   59    56    55    51   1.10000 -1.0 2.0
   61    62    59    55   4.00000 -1.0 2.0
   67    69    61    59   4.00000 -1.0 2.0
   61    68    67    49   1.10000 -1.0 2.0
   53    73    50    48   4.00000 -1.0 2.0
   57    54    53    50   1.10000 -1.0 2.0
   60    58    57    53   1.10000 -1.0 2.0
   64    65    60    57   4.00000 -1.0 2.0
   73    75    64    60   4.00000 -1.0 2.0
   64    74    73    50   1.10000 -1.0 2.0
END
