* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    128    199     372
    1     0 S   NP   _N1_     1    28.72133    95.22649   -19.72920
    2     1 S   H    _HN1     2     1.02851    85.03861    -8.11588
    3     1 S   H    _H1_     3     1.02980    41.19880   115.25707
    4     1 S   H    _H2_     4     1.02780    83.05688  -117.27247
    5     1 S   CT   _CA1     5     1.50594   150.98103   118.39708
    6     5 S   HC   _HA1     6     1.09676   104.61957    62.08516
    7     5 S   CO3  _C1_     7     1.54544   110.89975   -53.64808
    8     7 S   O2Z  _O11     8     1.26015   116.78511  -127.02368
    9     7 S   O2Z  _O12     9     1.26611   113.70234    52.03557
   10     5 S   CT   _CB1    10     1.53129   106.93102   178.43102
   11    10 S   HC   HB11    11     1.09832   110.24994   -39.27791
   12    10 S   HC   HB12    12     1.09778   109.94717    77.38067
   13    10 S   CT   _CG1    13     1.52995   112.40606  -159.83616
   14    13 S   HC   HG11    14     1.09476   110.87743   -53.96729
   15    13 S   HC   HG12    15     1.09642   109.81149    65.05881
   16    13 S   C    _CD1    16     1.51779   112.26736  -174.52994
   17    16 S   O    _OE1    17     1.22700   123.36996    -3.07345
   18    16 S   N    _N2_    18     1.38552   111.52788   176.64596
   19    18 S   H    _HN2    19     1.01449   118.88524     3.72363
   20    18 S   CT1  _CA2    20     1.46227   123.57827  -176.11229
   21    20 S   HC   _HA2    21     1.09687   109.51169    -5.70664
   22    20 S   C    _C2_    22     1.53396   108.36265  -122.00856
   23    22 S   O    _O2_    23     1.23034   122.09794  -146.56974
   24    20 S   CT   _CB2    32     1.53660   111.22757   116.31286
   25    24 S   HC   HB21    33     1.09134   108.63155    62.21577
   26    24 S   HC   HB22    34     1.09500   110.32038  -179.88809
   27    22 S   N    _N3_    24     1.38443   113.60799    40.33786
   28    27 S   H    _HN3    25     1.01502   119.00120     0.11535
   29    24 S   S    _SG2    35     1.82978   111.57100   -59.82470
   30    27 S   CT   _CA3    26     1.45422   123.30072   175.93673
   31    30 S   HC   HA31    27     1.09534   109.06816    28.29132
   32    30 S   HC   HA32    28     1.09488   107.17366   145.24614
   33    29 S   CT   _C19    36     1.86014   102.37735   156.42690
   34    30 S   CO3  _C3_    29     1.52901   113.09505   -95.14163
   35    34 S   O2Z  _O31    30     1.26408   115.35994   -46.33043
   36    34 S   O2Z  _O32    31     1.26351   115.02543   134.54040
   37    33 S   CT   _C15    37     1.54190   105.25288  -178.83500
   38    37 S   HC   _H28    38     1.09587   111.96308    63.85536
   39    37 S   HC   _H29    39     1.09579   111.35682  -175.93808
   40    37 S   HC   _H30    40     1.09718   111.73812   -57.12752
   41    33 S   CT   _C16    41     1.53966   108.37318    65.66576
   42    41 S   HC   _H31    42     1.09550   111.81456   -67.50313
   43    41 S   HC   _H32    43     1.09649   111.83838    53.77781
   44    41 S   HC   _H33    44     1.09625   111.02943   173.06933
   45    33 S   CT   _C18    45     1.55886   113.55211   -56.96242
   46    45 S   HC   _H36    46     1.09424   109.40990    70.12774
   47    45 S   CT   _C17    47     1.53824   116.18460   -53.11488
   48    47 S   HC   _H34    48     1.09484   111.17963    46.49174
   49    47 S   HC   _H35    49     1.09548   110.82288   -74.88875
   50    45 S   OH   _O20    70     1.43679   109.90780  -176.51699
   51    50 S   HO   _H37    71     0.97198   108.42088    77.36648
   52    47 S   OS   _O21    50     1.44174   107.55028   167.80657
   53    52 S   CA   _C11    51     1.37888   110.77847  -144.22589
   54    53 S   C56B _C7_    52     1.41200   120.98262   -77.71713
   55    53 S   CA   _C8_    62     1.40895   119.50419   105.15818
   56    54 S   C5B  _C4_    53     1.42149   136.12525     0.78084
   57    56 S   HA   _H23    54     1.08061   127.56898     0.09065
   58    55 S   CM   _C12    63     1.45861   123.00164    -0.88271
   59    58 S   HC   _H26    64     1.08406   119.18685     2.18633
   60    56 S   C5A  _C6_    55     1.37520   106.49930   179.79347
   61    60 S   HA   _H25    56     1.08033   133.76167  -179.42939
   62    58 S   CM   _C13    65     1.33518   120.84015  -177.76279
   63    62 S   HC   _H27    66     1.08452   120.87524   179.58129
   64    60 S   OA   _O18    57     1.35784   110.68879     0.20653
   65    62 S   CO4  _C14    67     1.47166   121.99989    -0.51129
   66    65 S   O    _O17    68     1.22551   121.31451   179.62885
   67    54 S   C56A _C9_    58     1.39161   118.34027  -179.17008
   68    71 S   OS   _O19    69     1.41525   116.13036  -179.84174
   69    67 S   CA   _C5_    59     1.39156   124.33497     0.19683
   70    69 S   HA   _H24    60     1.08296   121.97930  -179.55150
   71    69 S   CA   _C10    61     1.39803   115.50881     0.92450
  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  13   5   4   3
  16   2   1   1  11   4   3   2   7   3   2   1   8   6   8   4
   3   2   1   7  13  11  11   6   4   8   4   4   2   5   3   4
   4   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    52    50    51  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    50  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    50  
   43    44    45  
   44    45  
   45  
   46    47    48    49    52    53    50    51  
   47    48    49    52    50    51  
   48    49    52    53    54    55    50    51  
   49    52    53    50  
   52    53    50  
   51    52  
    0  
   53    54    56    67    71    55    58  
   54    56    57    60    64    67    69    71    55    58    59    62    68  
   56    57    60    61    64    67    69    70    71    55    58  
   58    59    62    63    65    68    56    67    69    70    71  
   57    60    61    64    67    69  
   60    61    64    67  
   59    62    63    65    66    68    69    71  
   62    63    65    71  
   61    64    67    69  
   64    67  
   63    65    66    68    71  
   65    66    68  
   67    69    70    71  
   66    68    69    71  
   68    71  
   69    70    71    68  
   69    70    71  
   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   0.167500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0700  -0.010800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.035400   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.514600   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.241900   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.079700   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.171600   1.3810   1.2100   0.030040813   0.268726247
   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
   64   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.0000   0.1700  -0.180000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.127000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   320.000  1.410
   52    53   450.000  1.364
   53    54   469.000  1.404
   53    55   469.000  1.400
   54    56   380.000  1.440
   54    67   447.000  1.419
   56    57   367.000  1.080
   56    60   520.000  1.370
   60    61   367.000  1.080
   60    64   340.000  1.360
   64    67   425.000  1.380
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    55   469.000  1.400
   71    68   450.000  1.364
   55    58   320.000  1.460
   58    59   340.000  1.080
   58    62   549.000  1.340
   62    63   340.000  1.080
   62    65   320.000  1.462
   65    66   570.000  1.229
   65    68   214.000  1.327
   50    51   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    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    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   33    45    50    50.00000  109.50000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    52    50.00000  109.50000
   45    50    51    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    52    53    75.00000  111.00000
   49    47    48    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    35.00000  109.50000
   52    53    54    70.00000  120.00000
   52    53    55    70.00000  120.00000
   53    54    56    50.00000  134.85500
   53    54    67    85.00000  116.20000
   53    55    71    63.00000  120.00000
   53    55    58    60.00000  120.93500
   54    56    57    35.00000  127.20800
   54    56    60    80.00000  105.82900
   54    67    64   100.00000  108.43400
   54    67    69    85.00000  122.70000
   56    60    61    35.00000  130.70000
   56    60    64    70.00000  108.00000
   60    56    57    35.00000  128.20000
   60    64    67   110.00000  105.28000
   64    60    61    35.00000  113.40000
   64    67    69    70.00000  124.10000
   67    54    56    80.00000  107.43600
   67    69    70    35.00000  120.00000
   67    69    71    85.00000  120.00000
   69    71    55    63.00000  120.00000
   69    71    68    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    55    58    60.00000  120.93500
   71    68    65    85.00000  115.98000
   55    53    54    63.00000  120.00000
   55    58    59    40.00000  117.26300
   55    58    62    60.00000  123.20500
   58    62    63    35.00000  120.00000
   58    62    65    65.00000  118.96000
   62    58    59    35.00000  120.00000
   62    65    66    80.00000  123.72100
   62    65    68    90.00000  111.29400
   65    62    63    40.00000  117.72500
   68    71    55    70.00000  120.00000
   68    65    66    83.00000  123.40000
   50    45    46    35.00000  109.50000
   50    45    47    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.44750  1.0 1.0
   29    33    45    47  -0.17800 -1.0 2.0
   29    33    45    47   0.20200  1.0 3.0
   29    33    45    50   0.56750  1.0 1.0
   29    33    45    50  -0.07550 -1.0 2.0
   29    33    45    50   0.20000  1.0 3.0
   33    45    47    48   0.15000  1.0 3.0
   33    45    47    49   0.15000  1.0 3.0
   33    45    47    52   0.62750  1.0 1.0
   33    45    47    52  -0.30950 -1.0 2.0
   33    45    47    52   0.27300  1.0 3.0
   33    45    50    51  -0.11600  1.0 1.0
   33    45    50    51  -0.09450 -1.0 2.0
   33    45    50    51   0.21250  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.56750  1.0 1.0
   37    33    45    47  -0.07550 -1.0 2.0
   37    33    45    47   0.20000  1.0 3.0
   37    33    45    50   0.86500  1.0 1.0
   37    33    45    50  -0.17500 -1.0 2.0
   37    33    45    50   0.20800  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.15000  1.0 3.0
   41    33    45    47   0.56750  1.0 1.0
   41    33    45    47  -0.07550 -1.0 2.0
   41    33    45    47   0.20000  1.0 3.0
   41    33    45    50   0.86500  1.0 1.0
   41    33    45    50  -0.17500 -1.0 2.0
   41    33    45    50   0.20800  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.15000  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    47    52    53  -0.32850  1.0 1.0
   45    47    52    53  -0.35800 -1.0 2.0
   45    47    52    53   0.33950  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    52   0.23400  1.0 3.0
   46    45    50    51   0.19450  1.0 3.0
   47    45    50    51  -0.11600  1.0 1.0
   47    45    50    51  -0.09450 -1.0 2.0
   47    45    50    51   0.21250  1.0 3.0
   47    52    53    54   1.63200 -1.0 2.0
   47    52    53    55   1.63200 -1.0 2.0
   48    47    52    53   0.08050  1.0 3.0
   49    47    52    53   0.08050  1.0 3.0
   52    53    54    56   3.62500 -1.0 2.0
   52    53    54    67   3.62500 -1.0 2.0
   52    53    55    71   3.62500 -1.0 2.0
   52    53    55    58   3.62500 -1.0 2.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54    56    60   3.62500 -1.0 2.0
   53    54    67    64   3.62500 -1.0 2.0
   53    54    67    69   3.00000 -1.0 2.0
   53    55    58    59   0.56550  1.0 3.0
   53    55    58    62   0.15800  1.0 1.0
   53    55    58    62   1.85350 -1.0 2.0
   53    55    58    62  -0.48700  1.0 3.0
   54    53    55    71   3.62500 -1.0 2.0
   54    53    55    58   3.62500 -1.0 2.0
   54    56    60    61   3.62500 -1.0 2.0
   54    56   -60    64   3.62500 -1.0 2.0
   54    67    69    70   3.62500 -1.0 2.0
   54    67   -69    71   3.62500 -1.0 2.0
   56    54   -67    64   3.62500 -1.0 2.0
   56    54    67    69   3.00000 -1.0 2.0
   56    60   -64    67   3.62500 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   57    56    60    64   3.62500 -1.0 2.0
   60    64   -67    54   3.62500 -1.0 2.0
   60    64    67    69   3.62500 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   64    67    69    70   3.62500 -1.0 2.0
   64    67    69    71   3.62500 -1.0 2.0
   67    54    56    57   3.50000 -1.0 2.0
   67    54   -56    60   3.50000 -1.0 2.0
   67    69    71    55   3.62500 -1.0 2.0
   67    69    71    68   3.62500 -1.0 2.0
   69    71   -55    53   3.62500 -1.0 2.0
   69    71    55    58   3.62500 -1.0 2.0
   69    71    68    65   0.01300  1.0 1.0
   69    71    68    65   0.97950 -1.0 2.0
   69    71    68    65  -0.55700  1.0 3.0
   70    69    71    55   3.62500 -1.0 2.0
   70    69    71    68   3.62500 -1.0 2.0
   71    55    58    59   0.56550  1.0 3.0
   71    55    58    62   0.15800  1.0 1.0
   71    55    58    62   1.85350 -1.0 2.0
   71    55    58    62  -0.48700  1.0 3.0
   55    53    54    56   3.62500 -1.0 2.0
   55    53   -54    67   3.50000 -1.0 2.0
   55    71    68    65   0.01300  1.0 1.0
   55    71    68    65   0.97950 -1.0 2.0
   55    71    68    65  -0.55700  1.0 3.0
   55    58    62    63   7.00000 -1.0 2.0
   55    58   -62    65   7.00000 -1.0 2.0
   58    62    65    66   1.00000 -1.0 2.0
   58    62    65    68  -0.56150  1.0 1.0
   58    62    65    68   2.19150 -1.0 2.0
   59    58    62    63   7.00000 -1.0 2.0
   59    58    62    65   7.00000 -1.0 2.0
   62    65   -68    71   2.00000 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    68   1.63100 -1.0 2.0
   66    65    68    71   3.00000 -1.0 2.0
   68    71    55    53   3.62500 -1.0 2.0
   68    71   -55    58   3.62500 -1.0 2.0
   50    45    47    48   0.23400  1.0 3.0
   50    45    47    49   0.23400  1.0 3.0
   50    45    47    52   3.69350  1.0 1.0
   50    45    47    52  -1.82950 -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
   36    30    34    35  10.50000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   56    67    54    53   4.00000 -1.0 2.0
   60    57    56    54   1.10000 -1.0 2.0
   64    61    60    56   1.10000 -1.0 2.0
   64    69    67    54   4.00000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   55    68    71    69   4.00000 -1.0 2.0
   71    58    55    53   4.00000 -1.0 2.0
   55    59    58    62   1.10000 -1.0 2.0
   65    63    62    58   1.10000 -1.0 2.0
   62    68    65    66  10.50000 -1.0 2.0
END
