* LIGAND DATABASE FILE (OPLS2005)
*
001      70    73    125    209     370
    1     0 S   NP   _N1_     1    28.92840    95.10704   -23.85204
    2     1 S   H    _HN1     2     1.02781   105.36756  -114.97755
    3     1 S   H    _H1_     3     1.02959    86.02204    -7.04893
    4     1 S   H    _H2_     4     1.02832    23.79126   145.40966
    5     1 S   CT   _CA1     5     1.50128   130.41678   106.48347
    6     5 S   HC   _HA1     6     1.09574   105.22531    74.85442
    7     5 S   CO3  _C1_     7     1.53776   112.37418   -45.36209
    8     7 S   O2Z  _O11     8     1.26361   114.99916   -43.80365
    9     7 S   O2Z  _O12     9     1.26237   114.92602   135.28288
   10     5 S   CT   _CB1    10     1.53059   107.40078  -167.23415
   11    10 S   HC   HB11    11     1.09829   109.31113   -50.50645
   12    10 S   HC   HB12    12     1.09829   110.43245    66.02471
   13    10 S   CT   _CG1    13     1.53029   112.70636  -171.59510
   14    13 S   HC   HG11    14     1.09591   110.47193   -64.05375
   15    13 S   HC   HG12    15     1.09644   110.01583    55.24731
   16    13 S   C    _CD1    16     1.51755   112.14591   175.54324
   17    16 S   O    _OE1    17     1.22747   123.16830    -1.88762
   18    16 S   N    _N2_    18     1.38592   111.80776   178.09710
   19    18 S   H    _HN2    19     1.01560   119.22847     3.82224
   20    18 S   CT1  _CA2    20     1.45952   122.75269   179.18964
   21    20 S   HC   _HA2    21     1.09387   109.67398    17.36466
   22    20 S   C    _C2_    22     1.52759   104.63131   -99.34444
   23    22 S   O    _O2_    23     1.23025   122.59413   -85.90341
   24    20 S   CT   _CB2    32     1.53306   111.72720   140.82812
   25    24 S   HC   HB21    33     1.09644   110.04723    59.47503
   26    24 S   HC   HB22    34     1.09503   110.84218   176.81691
   27    22 S   N    _N3_    24     1.38519   112.97112    89.27857
   28    27 S   H    _HN3    25     1.01700   120.00543     2.76173
   29    24 S   S    _SG2    35     1.83186   113.72559   -59.04246
   30    27 S   CT   _CA3    26     1.45324   122.48985  -178.05037
   31    30 S   HC   HA31    27     1.09566   107.16807   -69.51548
   32    30 S   HC   HA32    28     1.09571   108.26691    46.76889
   33    29 S   CT   _C20    36     1.84729   100.72167   -72.92903
   34    33 S   HC   _H3_    37     1.08161   104.02931    40.99238
   35    30 S   CO3  _C3_    29     1.52868   114.61766   168.80502
   36    35 S   O2Z  _O31    30     1.26296   116.25061    -7.38716
   37    35 S   O2Z  _O32    31     1.26491   114.33824   172.96664
   38    33 S   CA   _C12    38     1.53447   110.67114   158.14932
   39    33 S   CM   _C21    64     1.51572   110.09114   -74.53529
   40    39 S   HC   _H12    65     1.09050   115.78542   -50.50762
   41    38 S   CA   _C13    39     1.42500   122.24830  -109.57338
   42    38 S   CA   _C11    59     1.41205   120.54951    69.19764
   43    39 S   CMA  _C22    66     1.35045   128.24118   127.75119
   44    43 S   OM   _O35    67     1.26200   131.54623  -178.98509
   45    41 S   CM   _C19    40     1.48493   123.42941    -0.02798
   46    45 S   HC   _H11    41     1.08094   120.62898    -0.50668
   47    42 S   OH   _O36    60     1.37254   120.00951    -0.83673
   48    47 S   HO   _H13    61     0.97152   109.41167   178.54290
   49    41 S   CR3  _C14    62     1.43168   120.65469   179.54372
   50    43 S   CO3  _C23    68     1.55402   115.30730     1.09379
   51    50 S   O2Z  _O34    69     1.26715   115.35372    88.74036
   52    50 S   O2Z  _O33    70     1.26775   115.23999   -89.54682
   53    45 S   CM   _C18    42     1.34102   122.36158   179.59026
   54    53 S   HC   _H10    43     1.08494   120.36104  -180.00000
   55    56 S   CR3  _C15    63     1.40822   118.81578    -0.11535
   56    53 S   CA   _C16    44     1.46371   120.79313     0.13562
   57    56 S   CA   _C17    45     1.39941   120.38393   179.88636
   58    57 S   HA   _H9_    46     1.08718   120.78117    -0.04423
   59    57 S   CA   _C4_    47     1.39168   120.03931   180.00000
   60    59 S   HA   _H4_    48     1.08626   120.01264   179.98022
   61    59 S   CA   _C5_    49     1.39381   120.01286    -0.02798
   62    61 S   HA   _H5_    50     1.08805   118.76624  -179.96044
   63    61 S   CA   _C6_    51     1.40391   120.67178    -0.00000
   64    63 S   CA   _C7_    52     1.39722   121.04929  -179.89721
   65    64 S   HA   _H6_    53     1.08781   120.74405    -0.04846
   66    64 S   CA   _C8_    54     1.39303   120.40130   179.79064
   67    66 S   HA   _H7_    55     1.08832   118.55517  -179.78694
   68    66 S   CA   _C9_    56     1.40181   120.86268     0.08847
   69    68 S   CA   _C10    57     1.39436   120.33723  -179.49993
   70    69 S   HA   _H8_    58     1.08834   119.78992     0.26541
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  15   8   3  13   8   4   3   8   4   4   1
  12   2   1   1   7   3  12   8   6   3   5   3   5   2   5   5
   3   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    42    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    45    69    42    47    49    39    40    43    44    50  
   38    41    42    39    40    43  
   36    37  
   37  
    0  
   41    45    46    53    68    69    70    42    47    48    49    55    39    40    43  
   40    43    44    50    51    52    41    42  
   43    44    50  
   45    46    53    54    56    63    66    68    69    42    47    49    55  
   47    48    49    45    66    68    69    70  
   44    50    51    52  
   50    51    52  
   46    53    54    56    57    68    49    55  
   53    54    56    49  
   48    68    69    70  
   69  
   55    53    56    57    61    63    64    66    67    68    69    70  
   51    52  
   52  
    0  
   54    56    57    58    59    63    55  
   56    57    55  
   56    57    58    59    61    62    63    64    65    66    68    69  
   57    58    59    60    61    63    64    68  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64  
   61    62    63  
   62    63    64    65    66  
   63    64  
   64    65    66    67    68  
   65    66    67    68    69  
   66    67    68  
   67    68    69    70  
   68    69  
   69    70  
   70  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    42   469.000  1.400
   41    45   320.000  1.460
   41    49   490.000  1.398
   45    46   340.000  1.080
   45    53   549.000  1.340
   53    54   340.000  1.080
   53    56   320.000  1.460
   56    57   469.000  1.400
   56    55   490.000  1.398
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   469.000  1.400
   63    55   490.000  1.398
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   469.000  1.400
   68    49   490.000  1.398
   69    70   367.000  1.080
   69    42   469.000  1.400
   42    47   450.000  1.364
   47    48   553.000  0.945
   49    55   490.000  1.398
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    50   230.000  1.545
   50    51   656.000  1.250
   50    52   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    42    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    45    60.00000  120.93500
   38    41    49    70.00000  112.88000
   38    42    69    63.00000  120.00000
   38    42    47    70.00000  120.00000
   41    45    46    40.00000  117.26300
   41    45    53    60.00000  123.20500
   41    49    68    60.00000  130.80000
   41    49    55    60.00000  130.80000
   45    53    54    35.00000  120.00000
   45    53    56    60.00000  123.20500
   53    45    46    35.00000  120.00000
   53    56    57    60.00000  120.93500
   53    56    55    60.00000  120.93500
   56    53    54    40.00000  117.26300
   56    57    58    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    55    63    60.00000  130.80000
   56    55    49    60.00000  130.80000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    63.00000  120.00000
   61    63    55    70.00000  112.88000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    66    63.00000  120.00000
   63    55    49    60.00000  130.80000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    63.00000  120.00000
   66    68    49    70.00000  112.88000
   68    66    67    35.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    42    63.00000  120.00000
   68    49    55    60.00000  130.80000
   69    42    47    70.00000  120.00000
   42    38    41    63.00000  120.00000
   42    69    70    35.00000  120.00000
   42    47    48    35.00000  113.00000
   49    41    45    60.00000  120.93500
   49    68    69    70.00000  112.88000
   55    56    57    70.00000  112.88000
   55    63    64    70.00000  112.88000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    50    55.00000  124.75400
   43    39    40    40.00000  120.50800
   43    50    51    85.00000  113.83300
   43    50    52    85.00000  113.83300
   50    43    44    65.00000  121.00000
   52    50    51    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    41    49   3.62500 -1.0 2.0
   33    38    42    69   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    50   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   0.56550  1.0 3.0
   38    41    45    53   0.15800  1.0 1.0
   38    41    45    53   1.85350 -1.0 2.0
   38    41    45    53  -0.48700  1.0 3.0
   38    41    49    68   3.62500 -1.0 2.0
   38    41    49    55   3.62500 -1.0 2.0
   38    42    47    48   0.84100 -1.0 2.0
   41    38    42    69   3.62500 -1.0 2.0
   41    38    42    47   3.62500 -1.0 2.0
   41    45    53    54   7.00000 -1.0 2.0
   41    45    53    56   7.00000 -1.0 2.0
   41    49   -55    56   3.62500 -1.0 2.0
   41    49    55    63   3.62500 -1.0 2.0
   45    41    49    68   3.62500 -1.0 2.0
   45    41    49    55   3.62500 -1.0 2.0
   45    53    56    57   0.15800  1.0 1.0
   45    53    56    57   1.85350 -1.0 2.0
   45    53    56    57  -0.48700  1.0 3.0
   45    53   -56    55   0.15800  1.0 1.0
   45    53   -56    55   1.85350 -1.0 2.0
   45    53   -56    55  -0.48700  1.0 3.0
   46    45    53    54   7.00000 -1.0 2.0
   46    45    53    56   7.00000 -1.0 2.0
   53    56    57    58   3.62500 -1.0 2.0
   53    56    57    59   3.62500 -1.0 2.0
   53    56    55    63   3.62500 -1.0 2.0
   53    56    55    49   3.62500 -1.0 2.0
   54    53    56    57   0.56550  1.0 3.0
   54    53    56    55   0.56550  1.0 3.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    61   3.62500 -1.0 2.0
   57    56    55    63   3.62500 -1.0 2.0
   57    56    55    49   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59   -61    63   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61    63    55   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63    64    66   3.62500 -1.0 2.0
   61    63   -55    56   3.62500 -1.0 2.0
   61    63    55    49   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    55   3.62500 -1.0 2.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64    66    68   3.62500 -1.0 2.0
   64    63    55    56   3.62500 -1.0 2.0
   64    63    55    49   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66   -68    49   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    69    70   3.62500 -1.0 2.0
   66    68    69    42   3.62500 -1.0 2.0
   66    68    49    41   3.62500 -1.0 2.0
   66    68    49    55   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    49   3.62500 -1.0 2.0
   68    69   -42    38   3.62500 -1.0 2.0
   68    69    42    47   3.62500 -1.0 2.0
   68    49    55    56   3.62500 -1.0 2.0
   68    49   -55    63   3.62500 -1.0 2.0
   69    68   -49    41   3.62500 -1.0 2.0
   69    68    49    55   3.62500 -1.0 2.0
   69    42    47    48   0.84100 -1.0 2.0
   70    69    42    38   3.62500 -1.0 2.0
   70    69    42    47   3.62500 -1.0 2.0
   42    38    41    45   3.62500 -1.0 2.0
   42    38    41    49   3.62500 -1.0 2.0
   49    41    45    46   0.56550  1.0 3.0
   49    41   -45    53   0.15800  1.0 1.0
   49    41   -45    53   1.85350 -1.0 2.0
   49    41   -45    53  -0.48700  1.0 3.0
   49    68    69    70   3.62500 -1.0 2.0
   49    68   -69    42   3.62500 -1.0 2.0
   55    56    57    58   3.62500 -1.0 2.0
   55    56   -57    59   3.62500 -1.0 2.0
   55    63    64    65   3.62500 -1.0 2.0
   55    63   -64    66   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    42   0.18050 -1.0 2.0
   39    43    50    51  -0.04000 -1.0 2.0
   39    43    50    51  -0.29050  1.0 3.0
   39    43    50    52  -0.04000 -1.0 2.0
   39    43    50    52  -0.29050  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    50   7.00000 -1.0 2.0
   44    43    50    51   1.68800 -1.0 2.0
   44    43    50    52   1.68800 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    42    38    33   4.00000 -1.0 2.0
   45    49    41    38   4.00000 -1.0 2.0
   41    46    45    53   1.10000 -1.0 2.0
   56    54    53    45   1.10000 -1.0 2.0
   57    55    56    53   4.00000 -1.0 2.0
   59    58    57    56   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   64    55    63    61   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   69    49    68    66   4.00000 -1.0 2.0
   42    70    69    68   1.10000 -1.0 2.0
   69    47    42    38   4.00000 -1.0 2.0
   68    55    49    41   4.00000 -1.0 2.0
   63    49    55    56   4.00000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   50    44    43    39  15.00000 -1.0 2.0
   51    43    50    52  10.50000 -1.0 2.0
END
