* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    107    166     316
    1     0 S   NP   _N1_     1    28.72828    95.30973   -20.91240
    2     1 S   H    _HN1     2     1.02947    86.45420    34.52864
    3     1 S   H    _H1_     3     1.02835    36.27710   160.29872
    4     1 S   H    _H2_     4     1.02789    87.22797   -73.96773
    5     1 S   CT   _CA1     5     1.50090   147.02747   157.86884
    6     5 S   HC   _HA1     6     1.09580   105.24958    60.98847
    7     5 S   CO3  _C1_     7     1.53762   112.19968   -59.18477
    8     7 S   O2Z  _O11     8     1.26406   115.08831   -50.60266
    9     7 S   O2Z  _O12     9     1.26209   114.95234   128.73173
   10     5 S   CT   _CB1    10     1.53095   107.39320   178.73128
   11    10 S   HC   HB11    11     1.09824   109.32606   -51.35849
   12    10 S   HC   HB12    12     1.09821   110.49729    65.18507
   13    10 S   CT   _CG1    13     1.52994   112.60153  -172.44212
   14    13 S   HC   HG11    14     1.09592   110.41671   -62.56867
   15    13 S   HC   HG12    15     1.09648   110.04581    56.60304
   16    13 S   C    _CD1    16     1.51818   112.21800   176.80966
   17    16 S   O    _OE1    17     1.22740   123.24540    -5.85438
   18    16 S   N    _N2_    18     1.38614   111.66830   174.59956
   19    18 S   H    _HN2    19     1.01592   119.03944     1.18085
   20    18 S   CT1  _CA2    20     1.46280   123.41421  -179.61235
   21    20 S   HC   _HA2    21     1.09740   109.30301    -8.90706
   22    20 S   C    _C2_    22     1.53394   108.53247  -124.39678
   23    22 S   O    _O2_    23     1.23025   122.41016  -148.88578
   24    20 S   CT   _CB2    32     1.53404   111.38463   113.01424
   25    24 S   HC   HB21    33     1.09588   109.79058    55.52617
   26    24 S   HC   HB22    34     1.09484   110.54153   174.69400
   27    22 S   N    _N3_    24     1.38395   113.49186    38.76137
   28    27 S   H    _HN3    25     1.01638   119.46745    -3.79937
   29    24 S   S    _SG2    35     1.82822   111.20465   -65.32758
   30    27 S   CT   _CA3    26     1.45283   123.10608   176.86562
   31    30 S   HC   HA31    27     1.09553   107.54268   -63.30635
   32    30 S   HC   HA32    28     1.09559   107.92181    53.08877
   33    29 S   CT   _C15    36     1.84344    99.58150   167.27069
   34    33 S   HC   _H3_    37     1.09270   106.57565   -43.52397
   35    30 S   CO3  _C3_    29     1.52929   114.16014   175.05894
   36    35 S   O2Z  _O31    30     1.26361   116.06392    -0.79844
   37    35 S   O2Z  _O32    31     1.26431   114.40865   179.25954
   38    33 S   CM   _C10    38     1.50688   108.64141    77.62820
   39    38 S   HC   _H23    39     1.09051   115.72014    49.89713
   40    33 S   CT   _C14    46     1.53585   109.25646  -161.89179
   41    40 S   HC   _H24    47     1.09708   110.16319   -56.02323
   42    40 S   HC   _H25    48     1.09764   110.20521  -174.05443
   43    38 S   CM   _C12    40     1.34010   127.64344  -128.99194
   44    40 S   CO4  _C11    49     1.52246   112.08462    67.47287
   45    44 S   O    _O15    50     1.22836   122.51253    41.67156
   46    43 S   CO3  _C13    41     1.54792   125.40934    -2.66947
   47    46 S   O2Z  _O14    42     1.26636   113.99156   143.50841
   48    46 S   O2Z  _O16    43     1.26214   116.37478   -39.05614
   49    43 S   OH   _O17    44     1.38701   119.32454   176.68200
   50    49 S   HO   _H29    45     0.97524   106.34064  -172.56985
   51    44 S   CA   _C8_    51     1.48625   118.18336  -138.53709
   52    51 S   CA   _C6_    52     1.40185   118.73902   -42.24210
   53    52 S   HA   _H21    53     1.08679   121.17616    -0.88138
   54    52 S   CA   _C4_    54     1.39357   120.05872   179.61999
   55    54 S   HA   _H19    55     1.08622   120.03638  -179.94766
   56    54 S   CA   _C5_    56     1.39154   119.92734    -0.19383
   57    56 S   HA   _H20    57     1.08626   120.05701  -179.33353
   58    56 S   CA   _C7_    58     1.39626   120.02648     0.49337
   59    58 S   HA   _H22    59     1.08825   118.85501  -179.32914
   60    51 S   CA   _C9_    60     1.40797   120.60140   138.83701
   61    60 S   NE   _N13    61     1.39131   122.50734    -4.49741
   62    61 S   H    _H27    62     1.01540   119.46315   173.25340
   63    61 S   H    _H28    63     1.01316   119.14701    15.70586
  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   9   5   4   3
  12   7   2   1   1  11   4   8   4   3   5   8   3   4   2   1
   1   1  11   8   4   6   3   5   3   5   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    46    49    40    41    42    44    45    51  
   38    39    43    40    41    42    44  
   36    37  
   37  
    0  
   39    43    46    47    48    49    50    40    41    42    44  
   43    46    49    40  
   41    42    44    45    51    52    60    43  
   42    44    45    51  
   44    45    51  
   46    47    48    49    50  
   45    51    52    53    54    58    60    61  
   51    52    60  
   47    48    49    50  
   48    49  
   49  
   50  
    0  
   52    53    54    55    56    58    59    60    61    62    63  
   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    63  
   60    61  
   61    62    63  
   62    63  
   63  
    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   0.107500   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
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    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    46   230.000  1.545
   43    49   510.000  1.338
   46    47   656.000  1.250
   46    48   656.000  1.250
   49    50   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    51   310.000  1.470
   51    52   469.000  1.400
   51    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   481.000  1.340
   61    62   434.000  1.010
   61    63   434.000  1.010
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    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    46    55.00000  124.75400
   38    43    49    80.00000  121.38400
   43    38    39    35.00000  120.00000
   43    46    47    85.00000  113.83300
   43    46    48    85.00000  113.83300
   43    49    50    70.00000  107.45700
   48    46    47    80.00000  126.00000
   49    43    46    80.00000  119.00000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    80.00000  120.40000
   40    44    51    65.00000  115.47100
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    51    52    60.00000  119.52600
   44    51    60    60.00000  119.52600
   51    44    45    75.00000  123.78400
   51    52    53    35.00000  120.00000
   51    52    54    63.00000  120.00000
   51    60    58    63.00000  120.00000
   51    60    61    70.00000  120.10000
   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    70.00000  120.10000
   60    51    52    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  113.50000
   60    61    63    35.00000  113.50000
   63    61    62    35.00000  109.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  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    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    43    46   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    51   0.05850 -1.0 2.0
   33    40    44    51   0.17250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    44  -0.98800  1.0 1.0
   38    33    40    44   0.48800 -1.0 2.0
   38    33    40    44   0.76800  1.0 3.0
   38    43    46    47  -0.04000 -1.0 2.0
   38    43    46    47  -0.29050  1.0 3.0
   38    43    46    48  -0.04000 -1.0 2.0
   38    43    46    48  -0.29050  1.0 3.0
   38    43    49    50  -0.66100  1.0 1.0
   38    43    49    50   1.20850 -1.0 2.0
   38    43    49    50  -0.36000  1.0 3.0
   39    38    43    46   7.00000 -1.0 2.0
   39    38    43    49   7.00000 -1.0 2.0
   46    43    49    50   2.00000 -1.0 2.0
   49    43    46    47   1.68800 -1.0 2.0
   49    43    46    48   1.68800 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    44    51    52   2.26350  1.0 1.0
   40    44    51    52   0.76750 -1.0 2.0
   40    44    51    52   0.22500  1.0 3.0
   40    44    51    60   2.26350  1.0 1.0
   40    44    51    60   0.76750 -1.0 2.0
   40    44    51    60   0.22500  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    51   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    51   0.00000  1.0 1.0
   44    51    52    53   3.62500 -1.0 2.0
   44    51    52    54   3.62500 -1.0 2.0
   44    51    60    58   3.62500 -1.0 2.0
   44    51    60    61   3.62500 -1.0 2.0
   45    44    51    52   1.05000 -1.0 2.0
   45    44    51    60   1.05000 -1.0 2.0
   51    52    54    55   3.62500 -1.0 2.0
   51    52    54    56   3.62500 -1.0 2.0
   51    60    61    62   1.00000 -1.0 2.0
   51    60    61    63   1.00000 -1.0 2.0
   52    51    60    58   3.62500 -1.0 2.0
   52    51    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    51   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   1.00000 -1.0 2.0
   58    60    61    63   1.00000 -1.0 2.0
   59    58    60    51   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   60    51    52    53   3.62500 -1.0 2.0
   60    51   -52    54   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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   46    49    43    38  15.00000 -1.0 2.0
   47    43    46    48  10.50000 -1.0 2.0
   40    51    44    45  10.50000 -1.0 2.0
   52    60    51    44   4.00000 -1.0 2.0
   54    53    52    51   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    51   4.00000 -1.0 2.0
   63    60    61    62   1.00000 -1.0 2.0
END
