* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    155    234     441
    1     0 S   NP   _N1_     1    28.16359    95.76742   -17.98537
    2     1 S   H    _HN1     2     1.02787    46.44764   160.60352
    3     1 S   H    _H1_     3     1.02938    78.78412   -70.97297
    4     1 S   H    _H2_     4     1.02891    82.97135    38.88381
    5     1 S   CT   _CA1     5     1.50024   157.30144   166.77770
    6     5 S   HC   _HA1     6     1.09570   105.12781    53.48180
    7     5 S   CO3  _C1_     7     1.53803   112.74946   -66.66627
    8     7 S   O2Z  _O11     8     1.26345   115.13000   -38.28987
    9     7 S   O2Z  _O12     9     1.26261   114.94977   140.93590
   10     5 S   CT   _CB1    10     1.53027   107.45111   171.40351
   11    10 S   HC   HB11    11     1.09796   109.27696   -49.34941
   12    10 S   HC   HB12    12     1.09720   110.43675    67.43217
   13    10 S   CT   _CG1    13     1.52898   112.75083  -170.38211
   14    13 S   HC   HG11    14     1.09591   110.53115   -67.36761
   15    13 S   HC   HG12    15     1.09670   109.86017    51.89430
   16    13 S   C    _CD1    16     1.51810   112.31831   172.25286
   17    16 S   O    _OE1    17     1.22726   123.34299     4.86567
   18    16 S   N    _N2_    18     1.38654   111.47002  -175.18501
   19    18 S   H    _HN2    19     1.01586   118.86531     1.12692
   20    18 S   CT1  _CA2    20     1.46250   123.59843   178.30384
   21    20 S   HC   _HA2    21     1.09746   109.38877    -4.09563
   22    20 S   C    _C2_    22     1.53408   108.23934  -119.45524
   23    22 S   O    _O2_    23     1.23024   122.42706  -146.26566
   24    20 S   CT   _CB2    32     1.53369   111.42384   118.04634
   25    24 S   HC   HB21    33     1.09570   109.96556    54.49394
   26    24 S   HC   HB22    34     1.09443   110.40287   173.80540
   27    22 S   N    _N3_    24     1.38383   113.42685    41.22455
   28    27 S   H    _HN3    25     1.01626   119.50340    -3.66185
   29    24 S   S    _SG2    35     1.82552   110.88423   -66.49991
   30    27 S   CT   _CA3    26     1.45280   123.18328   176.94111
   31    30 S   HC   HA31    27     1.09551   107.57413   -62.84677
   32    30 S   HC   HA32    28     1.09557   107.90222    53.56833
   33    29 S   CT   _C23    36     1.84491   100.15074   164.72902
   34    33 S   HC   _H3_    37     1.09590   107.21187   -45.88639
   35    30 S   CO3  _C3_    29     1.52949   114.09800   175.53051
   36    35 S   O2Z  _O31    30     1.26372   116.05644    -0.12972
   37    35 S   O2Z  _O32    31     1.26426   114.41640   179.91607
   38    33 S   CT   _C21    38     1.53101   111.06777    73.91512
   39    38 S   HC   _H46    39     1.09453   111.84931   -55.78519
   40    38 S   HC   _H47    40     1.09573   109.51735  -174.85753
   41    33 S   CT   _C22    43     1.53875   108.05977  -163.20366
   42    41 S   HC   _H48    44     1.09686   110.52213   -52.46521
   43    41 S   HC   _H49    45     1.09632   109.65258  -170.50574
   44    38 S   OH   _O23    41     1.42177   111.36907    66.28774
   45    44 S   HO   _H51    42     0.97248   107.13021  -179.32247
   46    41 S   OS   _O25    46     1.43548   108.91313    73.60926
   47    46 S   CA   _C15    47     1.36707   116.03443  -123.11727
   48    47 S   CA   _C10    48     1.39312   116.08446   141.23831
   49    48 S   HA   _H33    49     1.08700   120.40174    -0.60909
   50    48 S   CA   _C6_    50     1.39600   120.16270  -179.37099
   51    50 S   HA   _H29    51     1.08816   118.20622   178.94075
   52    50 S   CA   _C13    52     1.40969   121.28551    -0.18023
   53    52 S   CA   _C7_    53     1.40427   117.52095    -2.22704
   54    53 S   HA   _H30    54     1.08596   121.39125  -178.24576
   55    52 S   CT   _C24    57     1.54626   119.60597   177.87100
   56    47 S   CA   _C11    55     1.39294   124.34366   -41.26389
   57    56 S   HA   _H34    56     1.08622   121.20752    -1.05758
   58    55 S   CA   _C12    58     1.54594   110.56650   -52.56821
   59    55 S   CT   _C18    78     1.55107   106.32079    71.41213
   60    59 S   HC   _H38    79     1.09739   111.07747    55.92230
   61    59 S   HC   _H39    80     1.09658   111.65605   175.25649
   62    59 S   HC   _H40    81     1.09656   112.27496   -63.88430
   63    55 S   CT   _C19    82     1.55102   113.80702  -172.20268
   64    63 S   HC   _H41    83     1.09656   111.67874   -63.20301
   65    63 S   HC   _H42    84     1.09649   112.27797    57.63767
   66    63 S   HC   _H43    85     1.09740   111.07107   177.49111
   67    58 S   CA   _C4_    59     1.40956   119.69013   -53.32073
   68    67 S   HA   _H27    60     1.08834   120.28634    -1.56260
   69    67 S   CA   _C8_    61     1.39871   121.61217   177.15380
   70    69 S   HA   _H31    62     1.08549   117.97352  -179.12018
   71    69 S   CA   _C14    63     1.39251   120.01860     0.23903
   72    71 S   CA   _C9_    64     1.39554   119.10239     2.23817
   73    72 S   HA   _H32    65     1.08753   120.17311   178.99322
   74    71 S   OS   _O24    68     1.36870   125.76081  -177.39564
   75    58 S   CA   _C5_    66     1.40196   122.87738   126.07408
   76    75 S   HA   _H28    67     1.08577   121.55782     1.34188
   77    74 S   CT   _C20    69     1.42886   116.55949    13.58953
   78    77 S   HC   _H44    70     1.09588   109.59893   -73.21374
   79    77 S   HC   _H45    71     1.09688   110.68574    47.70869
   80    77 S   C3T  _C17    72     1.49342   108.18183   168.19764
   81    80 S   HC   _H37    73     1.08117   113.95914    62.02351
   82    80 S   C3T  _C16    74     1.50435   121.13934  -145.07641
   83    82 S   HC   _H35    75     1.08236   118.15690  -152.10759
   84    82 S   HC   _H36    76     1.08242   119.02044    -4.71887
   85    80 S   O3T  _O22    77     1.43327   114.53805   -78.41617
  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
  11   8   2   1   1   8   4   3   7   3   2   1   1   7   9   8
   4   9   3  16   7   3  16   1   1  17   9   3   2   1   5   2
   1   1   8   4   7   3   9   5   3   8   1   1   8   5   4   5
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    41    42    43    46    47  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    41    42    43    46  
   40    44    45    41  
   44    45    41  
   42    43    46    47    48    56    44  
   43    46    47  
   46    47  
   45  
    0  
   47    48    49    50    53    56    57  
   48    49    50    51    52    53    54    56    57  
   49    50    51    52    53    56    57    55  
   50    51    52    56  
   51    52    53    54    56    55    58    59    63  
   52    53    55  
   53    54    56    57    55    58    67    75    59    60    61    62    63    64    65    66  
   54    56    57    55    58    59    63  
   56    57    55  
   58    67    68    69    72    75    76    59    60    61    62    63    64    65    66    56  
   57  
    0  
   67    68    69    70    71    72    73    75    76    59    60    61    62    63    64    65    66  
   60    61    62    63    64    65    66    67    75  
   61    62    63  
   62    63  
   63  
   64    65    66    67    75  
   65    66  
   66  
    0  
   68    69    70    71    72    75    76    74  
   69    70    71    75  
   70    71    72    73    75    74    77  
   71    72    74  
   72    73    75    76    74    77    78    79    80  
   73    75    76    74    77  
   75    76    74  
   77    78    79    80    81    82    85    75  
   76  
    0  
   78    79    80    81    82    83    84    85  
   79    80    81    82    85  
   80    81    82    85  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660   0.156500   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   320.000  1.410
   44    45   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    47   450.000  1.364
   47    48   469.000  1.400
   47    56   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   469.000  1.400
   52    55   317.000  1.510
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   55    58   317.000  1.510
   55    59   268.000  1.529
   55    63   268.000  1.529
   58    67   469.000  1.400
   58    75   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    75   469.000  1.400
   75    76   367.000  1.080
   74    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   275.000  1.510
   80    81   340.000  1.088
   80    82   260.000  1.509
   80    85   335.000  1.432
   82    83   340.000  1.088
   82    84   340.000  1.088
   82    85   335.000  1.432
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    44    45    55.00000  108.50000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    75.00000  111.00000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    47    48    70.00000  120.00000
   46    47    56    70.00000  120.00000
   47    48    49    35.00000  120.00000
   47    48    50    63.00000  120.00000
   47    56    53    63.00000  120.00000
   47    56    57    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    52    53    63.00000  120.00000
   50    52    55    70.00000  120.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    56    63.00000  120.00000
   52    55    58    70.00000  112.04700
   52    55    59    70.00000  112.17500
   52    55    63    70.00000  112.17500
   53    56    57    35.00000  120.00000
   56    47    48    63.00000  120.00000
   56    53    54    35.00000  120.00000
   55    52    53    70.00000  120.00000
   55    58    67    70.00000  120.00000
   55    58    75    70.00000  120.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   58    67    68    35.00000  120.00000
   58    67    69    63.00000  120.00000
   58    75    72    63.00000  120.00000
   58    75    76    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    74    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    75    63.00000  120.00000
   71    74    77    75.00000  111.00000
   72    75    76    35.00000  120.00000
   75    58    67    63.00000  120.00000
   75    72    73    35.00000  120.00000
   74    71    72    70.00000  120.00000
   74    77    78    35.00000  109.50000
   74    77    79    35.00000  109.50000
   74    77    80    50.00000  109.50000
   77    80    81    40.00000  115.04500
   77    80    82    60.00000  120.94000
   77    80    85    80.00000  116.47100
   79    77    78    33.00000  107.80000
   80    77    78    45.00000  109.38400
   80    77    79    45.00000  109.38400
   80    82    83    37.50000  117.20000
   80    82    84    37.50000  117.20000
   80    82    85    15.00000   60.43100
   80    85    82    15.00000   59.14900
   82    80    81    37.50000  117.20000
   84    82    83    35.00000  114.30000
   85    80    81    50.00000  114.27700
   85    80    82    15.00000   60.43100
   85    82    83    50.00000  114.27700
   85    82    84    50.00000  114.27700
   59    55    58    70.00000  112.17500
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    55    58    70.00000  112.17500
   63    55    59    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  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    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    44    45  -0.11600  1.0 1.0
   33    38    44    45  -0.09450 -1.0 2.0
   33    38    44    45   0.21250  1.0 3.0
   33    41    46    47  -0.32850  1.0 1.0
   33    41    46    47  -0.35800 -1.0 2.0
   33    41    46    47   0.33950  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    44   0.23400  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    46   0.23400  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46   0.62750  1.0 1.0
   38    33    41    46  -0.30950 -1.0 2.0
   38    33    41    46   0.27300  1.0 3.0
   39    38    44    45   0.19450  1.0 3.0
   40    38    44    45   0.19450  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   0.86500  1.0 1.0
   41    33    38    44  -0.17500 -1.0 2.0
   41    33    38    44   0.20800  1.0 3.0
   41    46    47    48   1.63200 -1.0 2.0
   41    46    47    56   1.63200 -1.0 2.0
   42    41    46    47   0.08050  1.0 3.0
   43    41    46    47   0.08050  1.0 3.0
   46    47    48    49   3.62500 -1.0 2.0
   46    47    48    50   3.62500 -1.0 2.0
   46    47    56    53   3.62500 -1.0 2.0
   46    47    56    57   3.62500 -1.0 2.0
   47    48    50    51   3.62500 -1.0 2.0
   47    48    50    52   3.62500 -1.0 2.0
   48    47    56    53   3.62500 -1.0 2.0
   48    47    56    57   3.62500 -1.0 2.0
   48    50   -52    53   3.62500 -1.0 2.0
   48    50    52    55   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52    53    56   3.62500 -1.0 2.0
   50    52    55    58   0.04300 -1.0 2.0
   50    52    55    59   0.04150 -1.0 2.0
   50    52    55    63   0.04150 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    55   3.62500 -1.0 2.0
   52    53   -56    47   3.62500 -1.0 2.0
   52    53    56    57   3.62500 -1.0 2.0
   52    55    58    67   0.04300 -1.0 2.0
   52    55    58    75   0.04300 -1.0 2.0
   52    55    59    60   0.43200  1.0 3.0
   52    55    59    61   0.43200  1.0 3.0
   52    55    59    62   0.43200  1.0 3.0
   52    55    63    64   0.43200  1.0 3.0
   52    55    63    65   0.43200  1.0 3.0
   52    55    63    66   0.43200  1.0 3.0
   53    52    55    58   0.04300 -1.0 2.0
   53    52    55    59   0.04150 -1.0 2.0
   53    52    55    63   0.04150 -1.0 2.0
   54    53    56    47   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   56    47    48    49   3.62500 -1.0 2.0
   56    47   -48    50   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    56   3.62500 -1.0 2.0
   55    58    67    68   3.62500 -1.0 2.0
   55    58    67    69   3.62500 -1.0 2.0
   55    58    75    72   3.62500 -1.0 2.0
   55    58    75    76   3.62500 -1.0 2.0
   58    55    59    60   0.43200  1.0 3.0
   58    55    59    61   0.43200  1.0 3.0
   58    55    59    62   0.43200  1.0 3.0
   58    55    63    64   0.43200  1.0 3.0
   58    55    63    65   0.43200  1.0 3.0
   58    55    63    66   0.43200  1.0 3.0
   58    67    69    70   3.62500 -1.0 2.0
   58    67    69    71   3.62500 -1.0 2.0
   67    58    75    72   3.62500 -1.0 2.0
   67    58    75    76   3.62500 -1.0 2.0
   67    69   -71    72   3.62500 -1.0 2.0
   67    69    71    74   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    72    75   3.62500 -1.0 2.0
   69    71    74    77   1.63200 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72   -75    58   3.62500 -1.0 2.0
   71    72    75    76   3.62500 -1.0 2.0
   71    74    77    78   0.08050  1.0 3.0
   71    74    77    79   0.08050  1.0 3.0
   71    74    77    80  -0.32850  1.0 1.0
   71    74    77    80  -0.35800 -1.0 2.0
   71    74    77    80   0.33950  1.0 3.0
   72    71    74    77   1.63200 -1.0 2.0
   73    72    75    58   3.62500 -1.0 2.0
   73    72    75    76   3.62500 -1.0 2.0
   75    58    67    68   3.62500 -1.0 2.0
   75    58   -67    69   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    75   3.62500 -1.0 2.0
   74    77    80    81   0.23400  1.0 3.0
   74    77    80    82  -0.26800  1.0 1.0
   74    77    80    82   0.69150 -1.0 2.0
   74    77    80    82  -0.48750  1.0 3.0
   74    77    80    85   1.11900  1.0 1.0
   74    77    80    85  -1.16350 -1.0 2.0
   74    77    80    85  -0.34150  1.0 3.0
   77    80    82    83   0.15000  1.0 3.0
   77    80    82    84   0.15000  1.0 3.0
   77    80   -82    85   0.02550  1.0 1.0
   77    80   -82    85  -0.02600 -1.0 2.0
   77    80   -82    85   1.20400  1.0 3.0
   77    80   -85    82   0.06250  1.0 1.0
   77    80   -85    82  -0.01100 -1.0 2.0
   77    80   -85    82   0.28050  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    85   0.23400  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    85   0.23400  1.0 3.0
   81    80    82    83   0.15000  1.0 3.0
   81    80    82    84   0.15000  1.0 3.0
   81    80   -82    85   0.23400  1.0 3.0
   81    80   -85    82   0.36800  1.0 3.0
   83    82   -85    80   0.36800  1.0 3.0
   84    82   -85    80   0.36800  1.0 3.0
   85    80   -82    83   0.23400  1.0 3.0
   85    80   -82    84   0.23400  1.0 3.0
   59    55    58    67   0.04150 -1.0 2.0
   59    55    58    75   0.04150 -1.0 2.0
   59    55    63    64   0.15000  1.0 3.0
   59    55    63    65   0.15000  1.0 3.0
   59    55    63    66   0.15000  1.0 3.0
   63    55    58    67   0.04150 -1.0 2.0
   63    55    58    75   0.04150 -1.0 2.0
   63    55    59    60   0.15000  1.0 3.0
   63    55    59    61   0.15000  1.0 3.0
   63    55    59    62   0.15000  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
   37    30    35    36  10.50000 -1.0 2.0
   48    56    47    46   4.00000 -1.0 2.0
   50    49    48    47   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   53    55    52    50   4.00000 -1.0 2.0
   56    54    53    52   1.10000 -1.0 2.0
   53    57    56    47   1.10000 -1.0 2.0
   67    75    58    55   4.00000 -1.0 2.0
   69    68    67    58   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   75    73    72    71   1.10000 -1.0 2.0
   72    76    75    58   1.10000 -1.0 2.0
END
