* LIGAND DATABASE FILE (OPLS2005)
*
001      63    66    116    193     343
    1     0 S   NP   _N1_     1    28.94917    95.50539   -21.00210
    2     1 S   H    _HN1     2     1.02950    79.80839    30.02160
    3     1 S   H    _H1_     3     1.02827    37.68066   166.04710
    4     1 S   H    _H2_     4     1.02779    93.02837   -78.13520
    5     1 S   CT   _CA1     5     1.50172   146.56332   141.67805
    6     5 S   HC   _HA1     6     1.09578   105.10238    74.81979
    7     5 S   CO3  _C1_     7     1.53762   112.50568   -45.12172
    8     7 S   O2Z  _O11     8     1.26375   115.01744   -38.64943
    9     7 S   O2Z  _O12     9     1.26253   114.97330   140.26093
   10     5 S   CT   _CB1    10     1.53086   107.36091  -167.32526
   11    10 S   HC   HB11    11     1.09823   109.16628   -49.43364
   12    10 S   HC   HB12    12     1.09814   110.48225    67.13400
   13    10 S   CT   _CG1    13     1.52978   112.73748  -170.51100
   14    13 S   HC   HG11    14     1.09473   110.43108   -67.97070
   15    13 S   HC   HG12    15     1.09674   109.90467    51.16360
   16    13 S   C    _CD1    16     1.51846   112.40636   171.29216
   17    16 S   O    _OE1    17     1.22732   123.28717     1.08426
   18    16 S   N    _N2_    18     1.38650   111.64025  -178.21853
   19    18 S   H    _HN2    19     1.01577   118.91815    -0.30774
   20    18 S   CT1  _CA2    20     1.46241   123.42714   176.40468
   21    20 S   HC   _HA2    21     1.09741   109.35294    -3.71752
   22    20 S   C    _C2_    22     1.53489   108.33456  -118.97944
   23    22 S   O    _O2_    23     1.23039   122.39479  -148.11840
   24    20 S   CT   _CB2    32     1.53257   111.66706   118.49415
   25    24 S   HC   HB21    33     1.09490   110.18060    56.69952
   26    24 S   HC   HB22    34     1.09528   110.49032   174.71969
   27    22 S   N    _N3_    24     1.38373   113.54297    39.40326
   28    27 S   H    _HN3    25     1.01617   119.48812    -3.59456
   29    24 S   S    _SG2    35     1.82867   111.30220   -66.82550
   30    27 S   CT   _CA3    26     1.45280   123.19956   177.00441
   31    30 S   HC   HA31    27     1.09550   107.53519   -63.84124
   32    30 S   HC   HA32    28     1.09557   107.94848    52.58232
   33    29 S   CT   _C19    36     1.85877   100.37763   133.64983
   34    33 S   HC   _H3_    37     1.09852   106.25649    43.28473
   35    30 S   CO3  _C3_    29     1.52948   114.09628   174.56267
   36    35 S   O2Z  _O31    30     1.26371   116.06008    -0.54176
   37    35 S   O2Z  _O32    31     1.26426   114.41367   179.51382
   38    33 S   CM   _C16    38     1.51327   107.21571   -73.94553
   39    38 S   HC   _H26    39     1.08745   116.54147    82.01046
   40    33 S   CT   _C18    49     1.56839   109.34841   161.79510
   41    40 S   OM   _O17    50     1.32833   107.93490  -158.43582
   42    40 S   HC   _H27    51     1.10114   106.66426   -30.62858
   43    38 S   CM   _C17    40     1.34463   123.60979   -96.43323
   44    43 S   CR3  _C11    41     1.48371   118.84108    -0.53959
   45    43 S   CM   _C15    60     1.45368   121.30220   175.84423
   46    45 S   HC   _H25    61     1.08533   119.29268     7.72200
   47    44 S   CR3  _C9_    42     1.41714   117.65293   169.20632
   48    47 S   CA   _C8_    43     1.41471   119.51710  -177.16524
   49    48 S   CA   _C4_    44     1.40922   118.61957    -1.31284
   50    49 S   HA   _H20    45     1.08809   120.49104  -179.72589
   51    48 S   CA   _C13    52     1.40988   118.46878   178.97818
   52    49 S   CA   _C6_    46     1.39646   121.32138    -0.73515
   53    52 S   HA   _H22    47     1.08726   119.22667  -178.44694
   54    51 S   CA   _C7_    53     1.39579   121.55516     0.53045
   55    54 S   HA   _H23    54     1.08624   120.95789  -179.96044
   56    51 S   OH   _O18    62     1.37231   119.26889  -179.58836
   57    56 S   HO   _H29    63     0.97211   108.80171   180.00000
   58    44 S   CA   _C12    48     1.40754   121.19929   -11.00476
   59    54 S   CA   _C5_    55     1.39163   119.79581     0.43701
   60    59 S   HA   _H21    56     1.08751   119.14122   179.57158
   61    47 S   CA   _C10    57     1.41786   120.87287     3.23809
   62    61 S   CM   _C14    58     1.47429   119.92776     2.05080
   63    62 S   HC   _H24    59     1.08484   118.71562   177.11758
  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
  11   7   2   1   1  11   4   9   4   3  10  12   7   3  13  13
   8   4   8   2   1   7   4   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    58    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    52    58    40    41    42    45  
   38    39    43    58    40    41    42  
   36    37  
   37  
    0  
   39    43    44    47    58    40    41    42    62    45    46  
   43    44    40    45  
   41    42    43    44    47    49    52    53    58  
   42    44    52    58  
   44    52    58  
   44    47    48    52    58    61    62    63    45    46  
   47    48    49    52    53    58    51    59    61    62    45    46  
   46    47    58    59    61    62    63  
   61    62    63  
   48    49    50    52    58    51    54    59    60    61    62    63    56  
   49    50    52    53    58    51    54    55    59    61    62    56    57  
   50    52    53    58    51    54    61    56  
   52    53    58    51  
   54    55    59    60    61    56    57    52  
   53    58  
   58  
   55    59    60    61    62    56    57  
   59    60    61    56  
   57    59  
    0  
   61  
   60    61    62    63  
   61    62  
   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   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   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    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   320.000  1.460
   43    45   380.000  1.444
   44    47   490.000  1.398
   44    58   490.000  1.398
   47    48   490.000  1.398
   47    61   490.000  1.398
   48    49   469.000  1.400
   48    51   469.000  1.400
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    40   317.000  1.510
   40    41   570.000  1.307
   40    42   340.000  1.090
   51    54   469.000  1.400
   51    56   450.000  1.364
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   320.000  1.460
   62    63   340.000  1.080
   62    45   549.000  1.340
   45    46   340.000  1.080
   56    57   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    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    58    70.00000  112.17500
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    60.00000  123.20500
   38    43    45    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    44    47    60.00000  120.93500
   43    44    58    60.00000  120.93500
   43    45    62    70.00000  123.01800
   43    45    46    35.00000  120.00000
   44    47    48    60.00000  130.80000
   44    47    61    60.00000  130.80000
   44    58    52    70.00000  112.88000
   44    58    40    80.00000  105.07000
   47    48    49    70.00000  112.88000
   47    48    51    70.00000  112.88000
   47    61    59    70.00000  112.88000
   47    61    62    60.00000  120.93500
   48    49    50    35.00000  120.00000
   48    49    52    63.00000  120.00000
   48    51    54    63.00000  120.00000
   48    51    56    70.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    58    63.00000  120.00000
   52    49    50    35.00000  120.00000
   52    58    40    70.00000  120.00000
   58    44    47    60.00000  130.80000
   58    52    53    35.00000  120.00000
   58    40    41    85.00000  111.85700
   58    40    42    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   42    40    41    45.00000  125.66300
   51    48    49    63.00000  120.00000
   51    54    55    35.00000  120.00000
   51    54    59    63.00000  120.00000
   51    56    57    35.00000  113.00000
   54    59    60    35.00000  120.00000
   54    59    61    63.00000  120.00000
   59    54    55    35.00000  120.00000
   59    61    62    60.00000  120.93500
   61    47    48    60.00000  130.80000
   61    59    60    35.00000  120.00000
   61    62    63    40.00000  117.26300
   61    62    45    60.00000  123.20500
   62    45    46    35.00000  120.00000
   45    43    44    60.00000  123.20500
   45    62    63    35.00000  120.00000
   56    51    54    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   0.01700  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    58   0.56750  1.0 1.0
   29    33    40    58  -0.07550 -1.0 2.0
   29    33    40    58   0.20000  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    45   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    58   0.43200  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33    40    58   0.21200  1.0 1.0
   38    33    40    58   0.16900 -1.0 2.0
   38    33    40    58  -1.15100  1.0 3.0
   38    33    40    41   0.61850  1.0 1.0
   38    33    40    41  -0.22750 -1.0 2.0
   38    33    40    41   0.15300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    43    44    47   0.15800  1.0 1.0
   38    43    44    47   1.85350 -1.0 2.0
   38    43    44    47  -0.48700  1.0 3.0
   38    43   -44    58   0.15800  1.0 1.0
   38    43   -44    58   1.85350 -1.0 2.0
   38    43   -44    58  -0.48700  1.0 3.0
   38    43    45    62   0.28850  1.0 1.0
   38    43    45    62   2.61350 -1.0 2.0
   38    43    45    62   0.78400  1.0 3.0
   38    43    45    46  -0.18600  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    45   7.00000 -1.0 2.0
   43    44    47    48   3.62500 -1.0 2.0
   43    44    47    61   3.62500 -1.0 2.0
   43    44    58    52   3.62500 -1.0 2.0
   43    44    58    40   3.62500 -1.0 2.0
   44    43    45    62  -0.18600  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    47    48    49   3.62500 -1.0 2.0
   44    47    48    51   3.62500 -1.0 2.0
   44    47    61    59   3.62500 -1.0 2.0
   44    47   -61    62   3.62500 -1.0 2.0
   44    58   -40    33   0.04150 -1.0 2.0
   44    58    40    41   0.64500  1.0 1.0
   44    58    40    41   0.14800 -1.0 2.0
   44    58    40    41   0.20650  1.0 3.0
   44    58    40    42   0.00000  1.0 1.0
   47    44    58    52   3.62500 -1.0 2.0
   47    44    58    40   3.62500 -1.0 2.0
   47    48    49    50   3.62500 -1.0 2.0
   47    48   -49    52   3.62500 -1.0 2.0
   47    48    51    54   3.62500 -1.0 2.0
   47    48    51    56   3.62500 -1.0 2.0
   47    61    62    63   0.56550  1.0 3.0
   47    61    62    45   0.15800  1.0 1.0
   47    61    62    45   1.85350 -1.0 2.0
   47    61    62    45  -0.48700  1.0 3.0
   48    47    61    59   3.62500 -1.0 2.0
   48    47    61    62   3.62500 -1.0 2.0
   48    49    52    53   3.62500 -1.0 2.0
   48    49    52    58   3.62500 -1.0 2.0
   48    51    54    55   3.62500 -1.0 2.0
   48    51   -54    59   3.62500 -1.0 2.0
   48    51    56    57   0.84100 -1.0 2.0
   49    48    51    54   3.62500 -1.0 2.0
   49    48    51    56   3.62500 -1.0 2.0
   49    52   -58    44   3.62500 -1.0 2.0
   49    52    58    40   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   50    49    52    58   3.62500 -1.0 2.0
   52    58    40    33   0.04150 -1.0 2.0
   52    58    40    41   0.64500  1.0 1.0
   52    58    40    41   0.14800 -1.0 2.0
   52    58    40    41   0.20650  1.0 3.0
   52    58    40    42   0.00000  1.0 1.0
   53    52    58    44   3.62500 -1.0 2.0
   53    52    58    40   3.62500 -1.0 2.0
   58    44   -47    48   3.62500 -1.0 2.0
   58    44    47    61   3.62500 -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
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    52   3.62500 -1.0 2.0
   51    54    59    60   3.62500 -1.0 2.0
   51    54    59    61   3.62500 -1.0 2.0
   54    51    56    57   0.84100 -1.0 2.0
   54    59   -61    47   3.62500 -1.0 2.0
   54    59    61    62   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    61   3.62500 -1.0 2.0
   59    61    62    63   0.56550  1.0 3.0
   59    61    62    45   0.15800  1.0 1.0
   59    61    62    45   1.85350 -1.0 2.0
   59    61    62    45  -0.48700  1.0 3.0
   60    59    61    47   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   61    47    48    49   3.62500 -1.0 2.0
   61    47   -48    51   3.62500 -1.0 2.0
   61    62   -45    43   7.00000 -1.0 2.0
   61    62    45    46   7.00000 -1.0 2.0
   63    62    45    43   7.00000 -1.0 2.0
   63    62    45    46   7.00000 -1.0 2.0
   45    43   -44    47   0.15800  1.0 1.0
   45    43   -44    47   1.85350 -1.0 2.0
   45    43   -44    47  -0.48700  1.0 3.0
   45    43    44    58   0.15800  1.0 1.0
   45    43    44    58   1.85350 -1.0 2.0
   45    43    44    58  -0.48700  1.0 3.0
   56    51    54    55   3.62500 -1.0 2.0
   56    51    54    59   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   1.10000 -1.0 2.0
   44    45    43    38   1.10000 -1.0 2.0
   47    58    44    43   4.00000 -1.0 2.0
   48    61    47    44   4.00000 -1.0 2.0
   49    51    48    47   4.00000 -1.0 2.0
   52    50    49    48   1.10000 -1.0 2.0
   58    53    52    49   1.10000 -1.0 2.0
   52    40    58    44   4.00000 -1.0 2.0
   54    56    51    48   4.00000 -1.0 2.0
   59    55    54    51   1.10000 -1.0 2.0
   61    60    59    54   1.10000 -1.0 2.0
   59    62    61    47   4.00000 -1.0 2.0
   61    63    62    45   1.10000 -1.0 2.0
   43    46    45    62   1.10000 -1.0 2.0
END
