* LIGAND DATABASE FILE (OPLS2005)
*
001      71    74    129    213     381
    1     0 S   NP   _N1_     1    28.70672    96.46096   -22.26480
    2     1 S   H    _HN1     2     1.02777    94.69408   -74.82664
    3     1 S   H    _H1_     3     1.02955    74.82963    32.96625
    4     1 S   H    _H2_     4     1.02827    41.30709   173.19767
    5     1 S   CT   _CA1     5     1.50145   147.98631   137.18104
    6     5 S   HC   _HA1     6     1.09580   105.14651    83.61176
    7     5 S   CO3  _C1_     7     1.53781   112.48070   -36.37040
    8     7 S   O2Z  _O11     8     1.26353   114.99449   -40.59727
    9     7 S   O2Z  _O12     9     1.26253   114.97141   138.38786
   10     5 S   CT   _CB1    10     1.53101   107.37291  -158.57594
   11    10 S   HC   HB11    11     1.09817   109.20158   -50.72513
   12    10 S   HC   HB12    12     1.09811   110.49462    65.86560
   13    10 S   CT   _CG1    13     1.52919   112.62309  -171.85016
   14    13 S   HC   HG11    14     1.09462   110.31426   -66.97225
   15    13 S   HC   HG12    15     1.09672   109.95328    52.12010
   16    13 S   C    _CD1    16     1.51796   112.58143   172.35918
   17    16 S   O    _OE1    17     1.22708   123.36506    -1.51297
   18    16 S   N    _N2_    18     1.38625   111.49194   179.25691
   19    18 S   H    _HN2    19     1.01590   118.87879     0.09487
   20    18 S   CT1  _CA2    20     1.46261   123.56861   176.71604
   21    20 S   HC   _HA2    21     1.09735   109.45766    -3.03512
   22    20 S   C    _C2_    22     1.53530   108.35773  -118.41560
   23    22 S   O    _O2_    23     1.23045   122.40275  -148.53904
   24    20 S   CT   _CB2    32     1.53371   111.30408   119.32466
   25    24 S   HC   HB21    33     1.09336   109.11846    53.90674
   26    24 S   HC   HB22    34     1.09409   110.09771   172.86381
   27    22 S   N    _N3_    24     1.38371   113.57119    39.00504
   28    27 S   H    _HN3    25     1.01613   119.49355    -3.59298
   29    24 S   S    _SG2    35     1.82527   110.93189   -68.47680
   30    27 S   CT   _CA3    26     1.45280   123.19464   177.04779
   31    30 S   HC   HA31    27     1.09550   107.52515   -64.06239
   32    30 S   HC   HA32    28     1.09557   107.96019    52.36388
   33    29 S   CT   _C20    36     1.85244   102.48886   154.05159
   34    30 S   CO3  _C3_    29     1.52947   114.09584   174.34220
   35    34 S   O2Z  _O31    30     1.26373   116.05631    -0.82139
   36    34 S   O2Z  _O32    31     1.26430   114.41344   179.23485
   37    33 S   CA   _C12    37     1.51565   112.56458    75.70160
   38    33 S   CO4  _C17    67     1.51560   111.11789   -57.01876
   39    38 S   O    _O21    68     1.22595   125.21367   109.74343
   40    37 S   CA   _C11    38     1.40654   110.31548   102.96623
   41    40 S   CA   _C7_    39     1.39179   121.90362  -179.58551
   42    41 S   HA   _H28    40     1.08613   120.19790  -179.32827
   43    40 S   CT   _C19    51     1.50595   111.89717     0.93962
   44    43 S   HC   _H30    52     1.09660   108.95930   127.82482
   45    41 S   CA   _C13    41     1.39826   119.08526     0.58817
   46    33 S   CM   _C18    53     1.53928   106.64234  -172.06071
   47    43 S   NT   _N19    69     1.46137   111.24016  -109.77074
   48    47 S   H    _H34    70     1.01851   109.36854   -67.14755
   49    47 S   H    _H35    71     1.02033   108.38622   177.84460
   50    45 S   CA   _C8_    42     1.40550   119.39980    -1.27119
   51    50 S   HA   _H29    43     1.08785   119.27189  -178.77411
   52    45 S   CT   _C21    47     1.49966   120.31808  -178.50354
   53    52 S   HC   _H31    48     1.09431   109.99094    89.85814
   54    52 S   HC   _H32    49     1.09508   110.87723  -149.62640
   55    52 S   HC   _H33    50     1.09511   110.94687   -30.61935
   56    46 S   CMA  _C16    54     1.36186   127.15175    86.87391
   57    56 S   OM   _O20    55     1.26728   126.41692   176.54260
   58    37 S   CA   _C15    44     1.38858   130.90121   -76.75126
   59    56 S   CA   _C10    56     1.51875   113.33799    -2.39555
   60    58 S   OH   _O23    45     1.36331   120.49297    -0.86728
   61    60 S   HO   _H37    46     0.97190   109.09700  -178.66572
   62    59 S   CA   _C9_    57     1.40787   120.22453    23.85384
   63    62 S   CA   _C5_    58     1.40151   122.53417   175.49872
   64    63 S   HA   _H26    59     1.08657   121.04700   179.77100
   65    63 S   CA   _C4_    60     1.38974   119.60746     1.12726
   66    65 S   HA   _H25    61     1.08616   120.27558   179.15860
   67    65 S   CA   _C6_    62     1.39087   119.70693     0.16786
   68    67 S   HA   _H27    63     1.08714   119.58511   179.19570
   69    59 S   CA   _C14    64     1.41230   123.66875  -159.38949
   70    69 S   OH   _O22    65     1.37263   122.80536     4.06876
   71    70 S   HO   _H36    66     0.97547   107.33528    -5.12025
  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  10   5   4   3
  17   2   1   1  17  12   4  14  13   4  10   5   8   9   3   1
   1   8   3   4   2   1   1   7   3   2   9   1   1   7   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    58    43    46    56    62    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    50    58    60    43    44    46    56    57    59    62    63    38    39    47  
   35    36  
   36  
    0  
   40    41    42    45    50    51    58    60    61    43    44    46    56    62    38    39    47  
   39    40    43    46    56    58    59    62    63    64    65    69  
   46    59    62    63  
   41    42    45    50    58    60    52    43    44    46    56    47    48    49  
   42    45    50    51    58    52    53    54    55    43    44    46    47  
   45    50    52    43  
   44    46    56    57    59    47    48    49    45    58  
   46    56    47    48    49  
   50    51    58    60    52    53    54    55  
   56    57    59    62    69    47    48    49    58  
   48    49    56  
   49  
    0  
   51    58    60    61    52    53    54    55  
   58    60    52  
   53    54    55    58  
   54    55  
   55  
    0  
   57    59    62    63    67    69    70  
   59    62    69  
   60    61  
   62    63    64    65    67    68    69    70    71  
   61  
    0  
   63    64    65    66    67    69    70  
   64    65    66    67    68    69  
   65    66    67  
   66    67    68    69    70  
   67    68    69  
   68    69    70    71  
   69    70  
   70    71  
   71  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660   0.235000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   49   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    46   317.000  1.510
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    58   469.000  1.400
   40    41   469.000  1.400
   40    43   317.000  1.510
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    50   469.000  1.400
   45    52   317.000  1.510
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    60   450.000  1.364
   60    61   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   43    44   340.000  1.090
   43    46   317.000  1.510
   43    47   382.000  1.448
   46    56   465.000  1.376
   56    57   745.000  1.250
   56    59   320.000  1.460
   59    62   469.000  1.400
   59    69   469.000  1.400
   62    63   469.000  1.400
   62    38   310.000  1.470
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   450.000  1.364
   70    71   553.000  0.945
   38    39   570.000  1.229
   47    48   434.000  1.010
   47    49   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   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    37    80.00000  109.48900
   29    33    46    75.00000  112.20000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    58    70.00000  120.00000
   33    46    43    65.00000  117.92700
   33    46    56    70.00000  124.00000
   33    38    62    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    70.00000  120.00000
   37    58    50    63.00000  120.00000
   37    58    60    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.99600
   40    43    47    75.00000  112.33000
   41    45    50    63.00000  120.00000
   41    45    52    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    58    63.00000  120.00000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    55    35.00000  109.50000
   50    58    60    70.00000  120.00000
   58    37    40    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    60    61    35.00000  113.00000
   52    45    50    70.00000  120.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   43    40    41    70.00000  120.00000
   43    46    56    70.00000  124.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   46    33    37    70.00000  112.99600
   46    43    44    35.00000  109.50000
   46    56    57    65.00000  137.10300
   46    56    59    60.00000  123.20500
   56    59    62    60.00000  120.93500
   56    59    69    60.00000  120.93500
   59    56    57    85.00000  114.86500
   59    62    63    63.00000  120.00000
   59    62    38    60.00000  119.52600
   59    69    67    63.00000  120.00000
   59    69    70    70.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    38    39    75.00000  123.78400
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    70.00000  120.00000
   69    59    62    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    71    35.00000  113.00000
   38    33    37    70.00000  110.93000
   38    33    46    70.00000  109.06800
   38    62    63    60.00000  119.52600
   47    43    44    35.00000  109.50000
   47    43    46    75.00000  110.70900
   49    47    48    43.60000  106.40000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    58  -0.16000  1.0 1.0
   29    33    37    58  -0.03200 -1.0 2.0
   29    33    37    58   0.04500  1.0 3.0
   29    33    46    43   0.30250  1.0 1.0
   29    33    46    43  -0.14950 -1.0 2.0
   29    33    46    43   0.36900  1.0 3.0
   29    33    46    56   0.42700  1.0 1.0
   29    33    46    56  -0.70350 -1.0 2.0
   29    33    46    56  -0.43150  1.0 3.0
   29    33    38    62   0.65300  1.0 1.0
   29    33    38    62  -0.03850 -1.0 2.0
   29    33    38    62   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37   -40    43   3.62500 -1.0 2.0
   33    37    58    50   3.62500 -1.0 2.0
   33    37    58    60   3.62500 -1.0 2.0
   33    46    56    57   7.00000 -1.0 2.0
   33    46    56    59   7.00000 -1.0 2.0
   37    33   -46    43   0.09700  1.0 1.0
   37    33   -46    43   0.15600 -1.0 2.0
   37    33   -46    43  -0.50800  1.0 3.0
   37    33    46    56   1.44450  1.0 1.0
   37    33    46    56   0.06600 -1.0 2.0
   37    33    46    56   0.29250  1.0 3.0
   37    33    38    62   0.65300  1.0 1.0
   37    33    38    62  -0.03850 -1.0 2.0
   37    33    38    62   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46   0.18050 -1.0 2.0
   37    40    43    47   0.18550 -1.0 2.0
   37    40    43    47   0.14000  1.0 3.0
   37    58    60    61   0.84100 -1.0 2.0
   40    37    58    50   3.62500 -1.0 2.0
   40    37    58    60   3.62500 -1.0 2.0
   40    41   -45    50   3.62500 -1.0 2.0
   40    41    45    52   3.62500 -1.0 2.0
   40    43   -46    33   0.09700  1.0 1.0
   40    43   -46    33   0.15600 -1.0 2.0
   40    43   -46    33  -0.50800  1.0 3.0
   40    43    46    56   1.44450  1.0 1.0
   40    43    46    56   0.06600 -1.0 2.0
   40    43    46    56   0.29250  1.0 3.0
   40    43    47    48   0.76500  1.0 1.0
   40    43    47    48   0.05700 -1.0 2.0
   40    43    47    48  -0.90900  1.0 3.0
   40    43    47    49   0.76500  1.0 1.0
   40    43    47    49   0.05700 -1.0 2.0
   40    43    47    49  -0.90900  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.18050 -1.0 2.0
   41    40    43    47   0.18550 -1.0 2.0
   41    40    43    47   0.14000  1.0 3.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    58   3.62500 -1.0 2.0
   41    45    52    53   0.00000  1.0 1.0
   41    45    52    54   0.00000  1.0 1.0
   41    45    52    55   0.00000  1.0 1.0
   42    41    45    50   3.62500 -1.0 2.0
   42    41    45    52   3.62500 -1.0 2.0
   45    50   -58    37   3.62500 -1.0 2.0
   45    50    58    60   3.62500 -1.0 2.0
   50    45    52    53   0.00000  1.0 1.0
   50    45    52    54   0.00000  1.0 1.0
   50    45    52    55   0.00000  1.0 1.0
   50    58    60    61   0.84100 -1.0 2.0
   51    50    58    37   3.62500 -1.0 2.0
   51    50    58    60   3.62500 -1.0 2.0
   58    37   -40    41   3.62500 -1.0 2.0
   58    37    40    43   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45    50    58   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46    56    57   7.00000 -1.0 2.0
   43    46    56    59   7.00000 -1.0 2.0
   44    43    46    33   0.34800  1.0 3.0
   44    43    46    56   0.00000  1.0 1.0
   44    43    47    48   0.20000  1.0 3.0
   44    43    47    49   0.20000  1.0 3.0
   46    33   -37    40   0.18050 -1.0 2.0
   46    33    37    58   0.18050 -1.0 2.0
   46    33    38    62   0.65300  1.0 1.0
   46    33    38    62  -0.03850 -1.0 2.0
   46    33    38    62   0.33900  1.0 3.0
   46    33    38    39   0.30150 -1.0 2.0
   46    43    47    48   0.12450  1.0 1.0
   46    43    47    48  -0.40750 -1.0 2.0
   46    43    47    48   0.30300  1.0 3.0
   46    43    47    49   0.12450  1.0 1.0
   46    43    47    49  -0.40750 -1.0 2.0
   46    43    47    49   0.30300  1.0 3.0
   46    56   -59    62   0.15800  1.0 1.0
   46    56   -59    62   1.85350 -1.0 2.0
   46    56   -59    62  -0.48700  1.0 3.0
   46    56    59    69   0.15800  1.0 1.0
   46    56    59    69   1.85350 -1.0 2.0
   46    56    59    69  -0.48700  1.0 3.0
   56    59    62    63   3.62500 -1.0 2.0
   56    59    62    38   3.62500 -1.0 2.0
   56    59    69    67   3.62500 -1.0 2.0
   56    59    69    70   3.62500 -1.0 2.0
   57    56    59    62  -0.01750  1.0 1.0
   57    56    59    62  -0.32000 -1.0 2.0
   57    56    59    62   0.00600  1.0 3.0
   57    56    59    69  -0.01750  1.0 1.0
   57    56    59    69  -0.32000 -1.0 2.0
   57    56    59    69   0.00600  1.0 3.0
   59    62    63    64   3.62500 -1.0 2.0
   59    62    63    65   3.62500 -1.0 2.0
   59    62   -38    33   2.26350  1.0 1.0
   59    62   -38    33   0.76750 -1.0 2.0
   59    62   -38    33   0.22500  1.0 3.0
   59    62    38    39   1.05000 -1.0 2.0
   59    69    70    71   0.84100 -1.0 2.0
   62    59    69    67   3.62500 -1.0 2.0
   62    59    69    70   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63   -65    67   3.62500 -1.0 2.0
   63    62    38    33   2.26350  1.0 1.0
   63    62    38    33   0.76750 -1.0 2.0
   63    62    38    33   0.22500  1.0 3.0
   63    62    38    39   1.05000 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65    67    69   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67   -69    59   3.62500 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    70    71   0.84100 -1.0 2.0
   68    67    69    59   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   69    59   -62    63   3.62500 -1.0 2.0
   69    59    62    38   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    58   0.04300 -1.0 2.0
   38    33    46    43   0.17250  1.0 1.0
   38    33    46    43  -0.04100 -1.0 2.0
   38    33    46    43  -0.33850  1.0 3.0
   38    33   -46    56  -0.51250  1.0 1.0
   38    33   -46    56  -0.88800 -1.0 2.0
   38    33   -46    56   0.08850  1.0 3.0
   38    62    63    64   3.62500 -1.0 2.0
   38    62    63    65   3.62500 -1.0 2.0
   47    43    46    33   0.52100  1.0 1.0
   47    43    46    33  -0.20350 -1.0 2.0
   47    43    46    33   0.29750  1.0 3.0
   47    43    46    56   0.90200  1.0 1.0
   47    43    46    56   0.57900 -1.0 2.0
   47    43    46    56  -0.62100  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   40    58    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   50    52    45    41   4.00000 -1.0 2.0
   58    51    50    45   1.10000 -1.0 2.0
   50    60    58    37   4.00000 -1.0 2.0
   33    43    46    56   1.10000 -1.0 2.0
   59    57    56    46   1.10000 -1.0 2.0
   62    69    59    56   4.00000 -1.0 2.0
   63    38    62    59   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   67    70    69    59   4.00000 -1.0 2.0
   33    62    38    39  10.50000 -1.0 2.0
END
