* LIGAND DATABASE FILE (OPLS2005)
*
001      63    66    116    193     343
    1     0 S   NP   _N1_     1    28.84858    95.88809   -24.91389
    2     1 S   H    _HN1     2     1.02947    74.76988     2.19517
    3     1 S   H    _H1_     3     1.02827    32.43998   177.38020
    4     1 S   H    _H2_     4     1.02795   116.55761  -101.04377
    5     1 S   CT   _CA1     5     1.50126   126.08345   106.62009
    6     5 S   HC   _HA1     6     1.09573   105.16314    92.08528
    7     5 S   CO3  _C1_     7     1.53769   112.43368   -28.12874
    8     7 S   O2Z  _O11     8     1.26377   115.00685   -43.22233
    9     7 S   O2Z  _O12     9     1.26232   114.94061   135.75954
   10     5 S   CT   _CB1    10     1.53055   107.39960  -149.95532
   11    10 S   HC   HB11    11     1.09842   109.33736   -49.33169
   12    10 S   HC   HB12    12     1.09810   110.47928    67.26109
   13    10 S   CT   _CG1    13     1.53023   112.63838  -170.25547
   14    13 S   HC   HG11    14     1.09568   110.74099   -67.22597
   15    13 S   HC   HG12    15     1.09668   109.69581    52.02736
   16    13 S   C    _CD1    16     1.51814   111.94999   172.51958
   17    16 S   O    _OE1    17     1.22763   123.15985    12.72907
   18    16 S   N    _N2_    18     1.38635   111.86519  -167.28485
   19    18 S   H    _HN2    19     1.01581   119.04064     0.86366
   20    18 S   CT1  _CA2    20     1.46236   123.39059   176.67987
   21    20 S   HC   _HA2    21     1.09738   109.22995     8.47002
   22    20 S   C    _C2_    22     1.53707   109.01951  -107.07978
   23    22 S   O    _O2_    23     1.23093   122.20334  -149.82074
   24    20 S   CT   _CB2    32     1.53347   111.61666   130.41313
   25    24 S   HC   HB21    33     1.09509   109.82421    57.06661
   26    24 S   HC   HB22    34     1.09516   110.13398   176.04245
   27    22 S   N    _N3_    24     1.38304   113.94654    37.71362
   28    27 S   H    _HN3    25     1.01533   119.62076    -3.25546
   29    24 S   S    _SG2    35     1.82670   111.52994   -64.07288
   30    27 S   CT   _CA3    26     1.45280   123.29847   177.20726
   31    30 S   HC   HA31    27     1.09546   107.51365   -64.87734
   32    30 S   HC   HA32    28     1.09555   107.99940    51.58498
   33    29 S   CT   _C19    36     1.85065    99.58625  -173.66203
   34    33 S   HC   _H3_    37     1.10018   104.28910    58.43547
   35    30 S   CO3  _C3_    29     1.52980   114.03452   173.59271
   36    35 S   O2Z  _O31    30     1.26385   116.08023    -0.17694
   37    35 S   O2Z  _O32    31     1.26424   114.41765   179.87967
   38    33 S   CM   _C16    38     1.51546   109.12351   169.62443
   39    38 S   HC   _H26    39     1.08796   118.07862   -24.59422
   40    33 S   CT   _C18    49     1.56781   115.96166   -59.51400
   41    40 S   OM   _O17    50     1.32705   111.08499   -51.57579
   42    40 S   HC   _H27    51     1.10110   104.63334    78.85352
   43    38 S   CM   _C17    40     1.34572   122.42102   160.36292
   44    43 S   CR3  _C11    41     1.48499   118.88165    -1.49593
   45    43 S   CM   _C15    60     1.45444   121.32132   174.41384
   46    45 S   HC   _H25    61     1.08541   119.14102     8.24964
   47    44 S   CR3  _C9_    42     1.41712   117.70440   168.97927
   48    47 S   CA   _C8_    43     1.41502   119.49097  -177.14131
   49    48 S   CA   _C4_    44     1.40939   118.65676    -1.12431
   50    49 S   HA   _H20    45     1.08815   120.49081  -179.72732
   51    48 S   CA   _C13    52     1.40977   118.47154   179.25035
   52    49 S   CA   _C6_    46     1.39634   121.32882    -1.02221
   53    52 S   HA   _H22    47     1.08726   119.24492  -177.98190
   54    51 S   CA   _C7_    53     1.39575   121.55403     0.62275
   55    54 S   HA   _H23    54     1.08634   120.91826   179.83687
   56    51 S   OH   _O18    62     1.37221   119.26179  -179.59074
   57    56 S   HO   _H29    63     0.97214   108.85765  -179.76097
   58    44 S   CA   _C12    48     1.40825   121.18942   -11.33387
   59    54 S   CA   _C5_    55     1.39184   119.80827     0.27836
   60    59 S   HA   _H21    56     1.08731   119.06424   179.33412
   61    47 S   CA   _C10    57     1.41816   120.88684     3.39500
   62    61 S   CM   _C14    58     1.47492   119.93133     1.61931
   63    62 S   HC   _H24    59     1.08461   118.73419   177.09108
  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
