* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    107    171     316
    1     0 S   NP   _N1_     1    28.83628    95.39093   -22.08852
    2     1 S   H    _HN1     2     1.02940    80.02671    22.24251
    3     1 S   H    _H1_     3     1.02840    34.89290   163.34505
    4     1 S   H    _H2_     4     1.02793    96.82755   -85.16373
    5     1 S   CT   _CA1     5     1.50117   142.81152   133.24193
    6     5 S   HC   _HA1     6     1.09601   105.15254    77.55886
    7     5 S   CO3  _C1_     7     1.53744   111.97122   -42.22811
    8     7 S   O2Z  _O11     8     1.26341   115.15713   -56.66192
    9     7 S   O2Z  _O12     9     1.26235   114.80488   122.01242
   10     5 S   CT   _CB1    10     1.53063   107.33596  -165.08228
   11    10 S   HC   HB11    11     1.09834   109.11391   -52.45201
   12    10 S   HC   HB12    12     1.09804   110.66558    64.04154
   13    10 S   CT   _CG1    13     1.52987   112.58619  -173.49823
   14    13 S   HC   HG11    14     1.09556   110.50604   -66.79588
   15    13 S   HC   HG12    15     1.09670   109.90440    52.37963
   16    13 S   C    _CD1    16     1.51846   112.15889   172.53229
   17    16 S   O    _OE1    17     1.22741   123.25784     2.19339
   18    16 S   N    _N2_    18     1.38594   111.71916  -177.30165
   19    18 S   H    _HN2    19     1.01597   118.97252    -0.01978
   20    18 S   CT1  _CA2    20     1.46307   123.41358   176.68365
   21    20 S   HC   _HA2    21     1.09732   109.44021    -0.87021
   22    20 S   C    _C2_    22     1.53503   108.43396  -116.28094
   23    22 S   O    _O2_    23     1.23046   122.37227  -148.06306
   24    20 S   CT   _CB2    32     1.53189   111.36493   121.33019
   25    24 S   HC   HB21    33     1.09445   109.59993    55.77788
   26    24 S   HC   HB22    34     1.09507   110.82432   174.07682
   27    22 S   N    _N3_    24     1.38364   113.61185    39.48106
   28    27 S   H    _HN3    25     1.01603   119.52943    -3.56326
   29    24 S   S    _SG2    35     1.82839   111.21510   -66.89558
   30    27 S   CT   _CA3    26     1.45281   123.18642   177.03054
   31    30 S   HC   HA31    27     1.09549   107.54627   -63.70772
   32    30 S   HC   HA32    28     1.09557   107.93550    52.71418
   33    29 S   CT   _C14    36     1.84552    99.78588   145.08580
   34    33 S   HC   _H3_    37     1.09484   104.98345    47.33742
   35    30 S   CO3  _C3_    29     1.52947   114.10381   174.70147
   36    35 S   O2Z  _O31    30     1.26371   116.06569     0.02798
   37    35 S   O2Z  _O32    31     1.26429   114.41170  -179.95154
   38    33 S   CA   _C10    38     1.52360   111.88662   -72.29987
   39    33 S   CM   _C15    56     1.51436   108.21789   163.79084
   40    39 S   HC   _H10    57     1.09038   116.12994    58.43056
   41    38 S   CA   _C11    39     1.40852   120.90610   -58.84600
   42    41 S   HA   _H8_    40     1.08954   119.28562     0.03426
   43    38 S   CA   _C9_    53     1.40159   121.41900   121.68821
   44    39 S   CMA  _C16    58     1.34922   125.11122  -121.63821
   45    44 S   OM   _O35    59     1.26050   134.55719    -0.07133
   46    41 S   CA   _C12    41     1.40590   121.83135  -179.97202
   47    43 S   OH   _O36    54     1.36982   119.42990    -0.53778
   48    47 S   HO   _H11    55     0.97173   109.08386   176.54572
   49    44 S   CO3  _C17    60     1.55019   111.18665  -179.90935
   50    49 S   O2Z  _O34    61     1.26777   115.38007    88.72879
   51    49 S   O2Z  _O33    62     1.26770   115.39999   -89.81875
   52    46 S   CA   _C13    42     1.40407   121.40264  -179.70725
   53    52 S   HA   _H9_    43     1.08819   120.57279     0.25717
   54    52 S   CA   _C4_    44     1.39496   120.72256   179.89347
   55    54 S   HA   _H4_    45     1.08648   119.86548  -179.48414
   56    54 S   CA   _C5_    46     1.39112   120.04092    -0.02798
   57    56 S   HA   _H5_    47     1.08614   119.99051  -179.74666
   58    56 S   CA   _C6_    48     1.39494   119.96721     0.08847
   59    58 S   HA   _H6_    49     1.08789   118.77673  -180.00000
   60    46 S   CA   _C7_    50     1.41200   119.35326     0.24945
   61    60 S   CA   _C8_    51     1.40196   119.19820     0.09487
   62    61 S   HA   _H7_    52     1.08801   119.77106   179.94766
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  13   8   3  10   4   7   4   3  10   4   1
   2   1   1   8   4   6   3   5   3   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    61    43    47    39    40    44    45    49  
   38    41    43    39    40    44  
   36    37  
   37  
    0  
   41    42    46    52    60    61    62    43    47    48    39    40    44  
   40    44    45    49    50    51    41    43  
   44    45    49  
   42    46    52    53    54    58    60    61    43    47  
   46    52    60    43  
   47    48    46    58    60    61    62  
   45    49    50    51  
   49    50    51  
   52    53    54    55    56    58    59    60    61    62  
   48    60    61    62  
   61  
   50    51  
   51  
    0  
   53    54    55    56    57    58    60    61  
   54    55    56    60  
   55    56    57    58    59    60  
   56    57    58  
   57    58    59    60    61  
   58    59    60  
   59    60    61    62  
   60    61  
   61    62  
   62  
    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  -0.335000   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   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    43   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    52   469.000  1.400
   46    60   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   469.000  1.400
   61    62   367.000  1.080
   61    43   469.000  1.400
   43    47   450.000  1.364
   47    48   553.000  0.945
   39    40   340.000  1.080
   39    44   465.000  1.376
   44    45   745.000  1.250
   44    49   230.000  1.545
   49    50   656.000  1.250
   49    51   656.000  1.250
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    43    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    43    61    63.00000  120.00000
   38    43    47    70.00000  120.00000
   41    46    52    63.00000  120.00000
   41    46    60    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    52    53    35.00000  120.00000
   46    52    54    63.00000  120.00000
   46    60    58    63.00000  120.00000
   46    60    61    63.00000  120.00000
   52    54    55    35.00000  120.00000
   52    54    56    63.00000  120.00000
   54    52    53    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    63.00000  120.00000
   56    54    55    35.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    63.00000  120.00000
   60    46    52    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    43    63.00000  120.00000
   61    43    47    70.00000  120.00000
   43    38    41    63.00000  120.00000
   43    61    62    35.00000  120.00000
   43    47    48    35.00000  113.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    44    45    65.00000  137.10300
   39    44    49    55.00000  124.75400
   44    39    40    40.00000  120.50800
   44    49    50    85.00000  113.83300
   44    49    51    85.00000  113.83300
   49    44    45    65.00000  121.00000
   51    49    50    80.00000  126.00000
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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    43  -0.16000  1.0 1.0
   29    33    38    43  -0.03200 -1.0 2.0
   29    33    38    43   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    44   0.42700  1.0 1.0
   29    33    39    44  -0.70350 -1.0 2.0
   29    33    39    44  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    43    61   3.62500 -1.0 2.0
   33    38    43    47   3.62500 -1.0 2.0
   33    39    44    45   7.00000 -1.0 2.0
   33    39    44    49   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    44   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    44   1.44450  1.0 1.0
   38    33    39    44   0.06600 -1.0 2.0
   38    33    39    44   0.29250  1.0 3.0
   38    41    46    52   3.62500 -1.0 2.0
   38    41    46    60   3.62500 -1.0 2.0
   38    43    47    48   0.84100 -1.0 2.0
   41    38    43    61   3.62500 -1.0 2.0
   41    38    43    47   3.62500 -1.0 2.0
   41    46    52    53   3.62500 -1.0 2.0
   41    46    52    54   3.62500 -1.0 2.0
   41    46    60    58   3.62500 -1.0 2.0
   41    46   -60    61   3.62500 -1.0 2.0
   42    41    46    52   3.62500 -1.0 2.0
   42    41    46    60   3.62500 -1.0 2.0
   46    52    54    55   3.62500 -1.0 2.0
   46    52    54    56   3.62500 -1.0 2.0
   46    60    61    62   3.62500 -1.0 2.0
   46    60    61    43   3.62500 -1.0 2.0
   52    46    60    58   3.62500 -1.0 2.0
   52    46    60    61   3.62500 -1.0 2.0
   52    54    56    57   3.62500 -1.0 2.0
   52    54   -56    58   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   54    56    58    59   3.62500 -1.0 2.0
   54    56    58    60   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   56    58   -60    46   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   58    60    61    43   3.62500 -1.0 2.0
   59    58    60    46   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   60    46    52    53   3.62500 -1.0 2.0
   60    46   -52    54   3.62500 -1.0 2.0
   60    61   -43    38   3.62500 -1.0 2.0
   60    61    43    47   3.62500 -1.0 2.0
   61    43    47    48   0.84100 -1.0 2.0
   62    61    43    38   3.62500 -1.0 2.0
   62    61    43    47   3.62500 -1.0 2.0
   43    38    41    42   3.62500 -1.0 2.0
   43    38   -41    46   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    43   0.18050 -1.0 2.0
   39    44    49    50  -0.04000 -1.0 2.0
   39    44    49    50  -0.29050  1.0 3.0
   39    44    49    51  -0.04000 -1.0 2.0
   39    44    49    51  -0.29050  1.0 3.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    49   7.00000 -1.0 2.0
   45    44    49    50   1.68800 -1.0 2.0
   45    44    49    51   1.68800 -1.0 2.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   41    43    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   52    60    46    41   4.00000 -1.0 2.0
   54    53    52    46   1.10000 -1.0 2.0
   56    55    54    52   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   58    61    60    46   4.00000 -1.0 2.0
   43    62    61    60   1.10000 -1.0 2.0
   61    47    43    38   4.00000 -1.0 2.0
   33    40    39    44  15.00000 -1.0 2.0
   49    45    44    39  15.00000 -1.0 2.0
   50    44    49    51  10.50000 -1.0 2.0
END
