* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    141    214     415
    1     0 S   NP   _N1_     1    29.86536    91.94517   -24.78654
    2     1 S   H    _HN1     2     1.02834     5.15495   147.48600
    3     1 S   H    _H1_     3     1.02787   106.51675  -106.76363
    4     1 S   H    _H2_     4     1.02950   103.15500     7.20680
    5     1 S   CT   _CA1     5     1.50097   115.60261   127.85910
    6     5 S   HC   _HA1     6     1.09565   105.26951    61.23805
    7     5 S   CO3  _C1_     7     1.53840   112.31298   -59.17826
    8     7 S   O2Z  _O11     8     1.26382   115.02259   -45.18000
    9     7 S   O2Z  _O12     9     1.26230   114.93285   133.95827
   10     5 S   CT   _CB1    10     1.53049   107.44152   179.33383
   11    10 S   HC   HB11    11     1.09828   109.61132   -48.75799
   12    10 S   HC   HB12    12     1.09823   110.32516    67.86562
   13    10 S   CT   _CG1    13     1.53006   112.57001  -169.71505
   14    13 S   HC   HG11    14     1.09589   110.54378   -60.37676
   15    13 S   HC   HG12    15     1.09637   110.00631    58.95621
   16    13 S   C    _CD1    16     1.51708   112.09159   179.53270
   17    16 S   O    _OE1    17     1.22728   123.18537    -0.27695
   18    16 S   N    _N2_    18     1.38660   111.73927   179.31815
   19    18 S   H    _HN2    19     1.01561   119.13875     3.95280
   20    18 S   CT1  _CA2    20     1.46145   123.21258  -177.00991
   21    20 S   HC   _HA2    21     1.09550   109.18229     1.35566
   22    20 S   C    _C2_    22     1.53458   109.05730  -113.89011
   23    22 S   O    _O2_    23     1.23059   122.27502  -148.41947
   24    20 S   CT   _CB2    32     1.53540   111.75206   123.33416
   25    24 S   HC   HB21    33     1.09671   109.41665    70.46329
   26    24 S   HC   HB22    34     1.09556   110.71246  -172.73904
   27    22 S   N    _N3_    24     1.38348   113.70818    38.84696
   28    27 S   H    _HN3    25     1.01593   119.52398    -3.04889
   29    24 S   S    _SG2    35     1.83164   115.12699   -48.53499
   30    27 S   CT   _CA3    26     1.45271   123.11719   177.02942
   31    30 S   HC   HA31    27     1.09553   107.46208   -65.22114
   32    30 S   HC   HA32    28     1.09559   108.01674    51.18374
   33    29 S   CT   _C6_    36     1.83092   100.68251   -63.73529
   34    33 S   HC   _H3_    37     1.09299   110.65469    43.91780
   35    30 S   CO3  _C3_    29     1.52931   114.17546   173.20624
   36    35 S   O2Z  _O31    30     1.26362   116.11020    -1.50987
   37    35 S   O2Z  _O32    31     1.26441   114.39657   178.58750
   38    33 S   CM   _C7_    38     1.50638   109.51357   -79.53432
   39    38 S   HC   _H9_    39     1.08861   115.86708   -53.36391
   40    33 S   CO4  _C5_    76     1.52247   107.52563   160.04418
   41    40 S   O    _O34    77     1.22469   125.82308   103.66089
   42    38 S   CMA  _C8_    40     1.35281   125.16043   126.13431
   43    42 S   OM   _O39    41     1.25926   129.98719     1.40611
   44    40 S   OS   _O33    78     1.37026   109.22281   -75.97476
   45    42 S   NE   _N4_    42     1.38267   122.16146  -177.95206
   46    45 S   H    _H10    43     1.01590   113.10928   179.79633
   47    44 S   CT   _C4_    79     1.42997   115.62105   178.93670
   48    47 S   HC   _H6_    80     1.09321   108.07600  -178.90140
   49    47 S   HC   _H7_    81     1.09393   110.26762    62.43154
   50    47 S   HC   _H8_    82     1.09412   110.32105   -60.21276
   51    45 S   CT   _C9_    44     1.45319   129.11233     2.81765
   52    51 S   HC   _H11    45     1.09642   109.59500    55.31414
   53    51 S   HC   _H12    46     1.09670   108.90621   -62.15864
   54    51 S   CT1  _C10    47     1.53610   111.41734   177.28726
   55    54 S   HC   _H4_    48     1.09766   108.34934   175.25790
   56    54 S   CO3  _C11    49     1.54058   109.34956   -68.10870
   57    56 S   O2Z  _O36    50     1.26464   115.74737   109.25836
   58    56 S   O2Z  _O35    51     1.26495   114.89833   -71.77899
   59    54 S   N    _N5_    52     1.46283   111.18163    57.70557
   60    59 S   H    _H13    53     1.01561   116.56143   -94.62135
   61    59 S   C    _C12    54     1.38403   123.15677    81.92695
   62    61 S   O    _O37    55     1.22986   124.57210     6.08402
   63    61 S   CT1  _C13    56     1.52833   112.65601  -174.29738
   64    63 S   HC   _H5_    57     1.09637   110.29699    13.53981
   65    63 S   CT   _C14    58     1.53637   111.19850   135.63025
   66    65 S   HC   _H14    59     1.09847   110.15312   173.61478
   67    65 S   HC   _H15    60     1.09838   110.92948    56.96470
   68    63 S   NT   _N6_    73     1.46554   106.70104  -104.32534
   69    68 S   H    _H21    74     1.01909   109.54365   178.91646
   70    68 S   H    _H22    75     1.01984   109.41975    62.87440
   71    65 S   CA   _C15    61     1.51193   112.19674   -65.75741
   72    71 S   CA   _C16    62     1.40222   120.54293   -78.18363
   73    72 S   HA   _H16    63     1.08705   120.34091    -1.28192
   74    72 S   CA   _C17    64     1.39562   120.45244   178.27082
   75    74 S   HA   _H17    65     1.08605   119.92401  -179.66312
   76    74 S   CA   _C18    66     1.39130   119.60706    -0.28255
   77    76 S   CA   _C19    67     1.39218   120.78366     0.23903
   78    77 S   HA   _H18    68     1.08584   121.01451  -179.72804
   79    76 S   OH   _O38    71     1.36623   118.34785  -179.74207
   80    79 S   HO   _H20    72     0.97322   108.04302   173.63188
   81    71 S   CA   _C20    69     1.40250   120.35751    99.97688
   82    81 S   HA   _H19    70     1.08732   120.37685     1.18927
  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
  10   6   2   1   1   9   4   7   2   7   3   4   8   4   3   2
   1   1  10   5   4   9   6   5   2   1   7   3  10   4  10   7
  12   5   4   3   1   1   9   8   4   7   3   6   5   3   2   1
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    45    40    41    44    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    45    46    51    40    41    44  
   42    43    45    40  
   41    44    47    48    49    50    42  
   44    47  
   43    45    46    51    52    53    54  
   45    46    51  
   47    48    49    50  
   46    51    52    53    54    55    56    59  
   51    52    53    54  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    58    59    60    61  
   53    54    55    56    59  
   54    55    56    59  
   55    56    57    58    59    60    61    62    63  
   56    57    58    59    60    61  
   57    58    59    60    61  
   58    59  
   59  
   60    61    62    63    64    65    68  
   61    62    63  
   62    63    64    65    66    67    71    68    69    70  
   63    64    65    68  
   64    65    66    67    71    72    81    68    69    70  
   65    66    67    71    68    69    70  
   66    67    71    72    73    74    77    81    82    68    69    70  
   67    71    72    81    68  
   71    72    81    68  
   69    70    71  
   70  
    0  
   72    73    74    75    76    77    78    81    82  
   73    74    75    76    77    81    82    79  
   74    75    76    81  
   75    76    77    78    81    79    80  
   76    77    79  
   77    78    81    82    79    80  
   78    81    82    79    80  
   81    82    79  
   80    81  
    0  
   82  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.2500   0.1700  -1.111500   2.1120   1.8750   0.051222218  -2.220205820
   46   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   69   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   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    40   317.000  1.522
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    45   415.000  1.382
   45    46   434.000  1.010
   45    51   382.000  1.448
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   317.000  1.522
   54    59   337.000  1.449
   56    57   656.000  1.250
   56    58   656.000  1.250
   59    60   434.000  1.010
   59    61   490.000  1.335
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    68   305.000  1.457
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   317.000  1.510
   71    72   469.000  1.400
   71    81   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    79   450.000  1.364
   77    78   367.000  1.080
   77    81   469.000  1.400
   81    82   367.000  1.080
   79    80   553.000  0.945
   68    69   434.000  1.010
   68    70   434.000  1.010
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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  112.20000
   29    33    40    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    80.00000  120.40000
   33    40    44    81.00000  111.40000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    45    75.00000  114.40000
   42    38    39    40.00000  120.50800
   42    45    46    50.00000  121.48000
   42    45    51    50.00000  121.00000
   45    42    43   105.00000  113.92000
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   45    51    54    80.00000  111.61500
   51    45    46    35.00000  112.50000
   51    54    55    37.50000  110.70000
   51    54    56    63.00000  111.10000
   51    54    59    80.00000  109.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    70.00000  117.00000
   54    56    58    70.00000  117.00000
   54    59    60    38.00000  118.40000
   54    59    61    50.00000  121.90000
   56    54    55    35.00000  109.50000
   58    56    57    80.00000  126.00000
   59    54    55    35.00000  109.50000
   59    54    56    63.00000  110.10000
   59    61    62    80.00000  122.90000
   59    61    63    70.00000  116.60000
   61    59    60    35.00000  119.80000
   61    63    64    35.00000  109.50000
   61    63    65    63.00000  111.10000
   61    63    68    75.00000  111.54000
   63    61    62    80.00000  120.40000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    71    63.00000  114.00000
   63    68    69    50.00000  111.55300
   63    68    70    50.00000  111.55300
   65    63    64    37.50000  110.70000
   65    71    72    70.00000  120.00000
   65    71    81    70.00000  120.00000
   67    65    66    33.00000  107.80000
   71    65    66    35.00000  109.50000
   71    65    67    35.00000  109.50000
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    81    77    63.00000  120.00000
   71    81    82    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    79    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    81    63.00000  120.00000
   76    79    80    35.00000  113.00000
   77    81    82    35.00000  120.00000
   81    71    72    63.00000  120.00000
   81    77    78    35.00000  120.00000
   79    76    77    70.00000  120.00000
   68    63    64    50.00000  109.55000
   68    63    65    80.00000  111.22000
   70    68    69    43.60000  106.40000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   40    44    47    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    44   0.40000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    45   7.00000 -1.0 2.0
   33    40    44    47   1.63150  1.0 1.0
   33    40    44    47   2.92000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.30150 -1.0 2.0
   38    33    40    44   0.40000  1.0 3.0
   38    42    45    46   1.00000 -1.0 2.0
   38    42    45    51  -0.54700  1.0 1.0
   38    42    45    51   1.23000 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    45   7.00000 -1.0 2.0
   42    45    51    52   0.00000  1.0 1.0
   42    45    51    53   0.00000  1.0 1.0
   42    45    51    54   0.25450  1.0 1.0
   42    45    51    54  -0.61700 -1.0 2.0
   42    45    51    54  -0.23550  1.0 3.0
   43    42    45    46   1.00000 -1.0 2.0
   43    42    45    51   1.00000 -1.0 2.0
   45    51    54    55   0.22950  1.0 3.0
   45    51    54    56  -4.61400  1.0 1.0
   45    51    54    59   2.20050  1.0 1.0
   45    51    54    59   0.63450 -1.0 2.0
   45    51    54    59  -0.91300  1.0 3.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    53   0.00000  1.0 1.0
   46    45    51    54   0.00000  1.0 1.0
   51    54    56    57   0.00000  1.0 1.0
   51    54    56    58   0.00000  1.0 1.0
   51    54    59    60   0.00000  1.0 1.0
   51    54    59    61   0.25950  1.0 1.0
   51    54    59    61   0.43850 -1.0 2.0
   51    54    59    61   2.61650  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56  -0.03800  1.0 3.0
   52    51    54    59   0.23200  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56  -0.03800  1.0 3.0
   53    51    54    59   0.23200  1.0 3.0
   54    59    61    62   3.04450 -1.0 2.0
   54    59    61    63   1.15000  1.0 1.0
   54    59    61    63   3.04450 -1.0 2.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   56    54    59    60   0.00000  1.0 1.0
   56    54    59    61  -0.29800  1.0 1.0
   56    54    59    61   0.13950 -1.0 2.0
   56    54    59    61  -2.45650  1.0 3.0
   59    54    56    57   0.00000  1.0 1.0
   59    54    56    58   0.00000  1.0 1.0
   59    61    63    64   0.00000  1.0 1.0
   59    61    63    65   0.93250  1.0 1.0
   59    61    63    65   0.04450 -1.0 2.0
   59    61    63    65   0.17550  1.0 3.0
   59    61    63    68   0.00000  1.0 1.0
   60    59    61    62   2.45000 -1.0 2.0
   60    59    61    63   2.45000 -1.0 2.0
   61    63    65    66  -0.03800  1.0 3.0
   61    63    65    67  -0.03800  1.0 3.0
   61    63    65    71  -0.84850  1.0 1.0
   61    63    65    71  -0.22800 -1.0 2.0
   61    63    65    71   0.29250  1.0 3.0
   61    63    68    69   0.21900  1.0 1.0
   61    63    68    69  -0.24900 -1.0 2.0
   61    63    68    69   0.15200  1.0 3.0
   61    63    68    70   0.21900  1.0 1.0
   61    63    68    70  -0.24900 -1.0 2.0
   61    63    68    70   0.15200  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    68   0.30150 -1.0 2.0
   63    65    71    72   0.00000  1.0 1.0
   63    65    71    81   0.00000  1.0 1.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    71   0.23100  1.0 3.0
   64    63    68    69   0.20000  1.0 3.0
   64    63    68    70   0.20000  1.0 3.0
   65    63    68    69  -0.05950  1.0 1.0
   65    63    68    69   0.08850 -1.0 2.0
   65    63    68    69   0.11750  1.0 3.0
   65    63    68    70  -0.05950  1.0 1.0
   65    63    68    70   0.08850 -1.0 2.0
   65    63    68    70   0.11750  1.0 3.0
   65    71    72    73   3.62500 -1.0 2.0
   65    71    72    74   3.62500 -1.0 2.0
   65    71    81    77   3.62500 -1.0 2.0
   65    71    81    82   3.62500 -1.0 2.0
   66    65    71    72   0.00000  1.0 1.0
   66    65    71    81   0.00000  1.0 1.0
   67    65    71    72   0.00000  1.0 1.0
   67    65    71    81   0.00000  1.0 1.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    76   3.62500 -1.0 2.0
   72    71    81    77   3.62500 -1.0 2.0
   72    71    81    82   3.62500 -1.0 2.0
   72    74   -76    77   3.62500 -1.0 2.0
   72    74    76    79   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    81   3.62500 -1.0 2.0
   74    76    79    80   0.84100 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    79   3.62500 -1.0 2.0
   76    77   -81    71   3.62500 -1.0 2.0
   76    77    81    82   3.62500 -1.0 2.0
   77    76    79    80   0.84100 -1.0 2.0
   78    77    81    71   3.62500 -1.0 2.0
   78    77    81    82   3.62500 -1.0 2.0
   81    71    72    73   3.62500 -1.0 2.0
   81    71   -72    74   3.62500 -1.0 2.0
   79    76    77    78   3.62500 -1.0 2.0
   79    76    77    81   3.62500 -1.0 2.0
   68    63    65    66   0.15000  1.0 3.0
   68    63    65    67   0.15000  1.0 3.0
   68    63    65    71   0.83750  1.0 1.0
   68    63    65    71   0.32200 -1.0 2.0
   68    63    65    71   0.70600  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.51250  1.0 1.0
   40    33    38    42  -0.88800 -1.0 2.0
   40    33    38    42   0.08850  1.0 3.0
   40    44    47    48   0.08050  1.0 3.0
   40    44    47    49   0.08050  1.0 3.0
   40    44    47    50   0.08050  1.0 3.0
   41    40    44    47   3.00000 -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
   33    39    38    42  15.00000 -1.0 2.0
   45    43    42    38  15.00000 -1.0 2.0
   46    42    45    51   1.00000 -1.0 2.0
   57    54    56    58  10.50000 -1.0 2.0
   60    61    59    54   1.00000 -1.0 2.0
   59    63    61    62  10.50000 -1.0 2.0
   72    81    71    65   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    79    76    74   4.00000 -1.0 2.0
   81    78    77    76   1.10000 -1.0 2.0
   77    82    81    71   1.10000 -1.0 2.0
   33    44    40    41  10.50000 -1.0 2.0
END
