* LIGAND DATABASE FILE (OPLS2005)
*
001      87    87    151    220     436
    1     0 S   NP   _N1_     1    28.94553    97.08114   -25.25864
    2     1 S   H    _HN1     2     1.02828    39.47368   179.26645
    3     1 S   H    _H1_     3     1.02795   117.76605   -96.07395
    4     1 S   H    _H2_     4     1.02955    67.71963     3.59194
    5     1 S   CT   _CA1     5     1.50129   127.71297   102.78053
    6     5 S   HC   _HA1     6     1.09574   105.20238   100.51514
    7     5 S   CO3  _C1_     7     1.53764   112.38962   -19.71366
    8     7 S   O2Z  _O11     8     1.26367   115.01012   -44.67520
    9     7 S   O2Z  _O12     9     1.26235   114.93051   134.36658
   10     5 S   CT   _CB1    10     1.53045   107.37473  -141.59281
   11    10 S   HC   HB11    11     1.09841   109.29704   -50.26629
   12    10 S   HC   HB12    12     1.09818   110.45922    66.26151
   13    10 S   CT   _CG1    13     1.53034   112.71074  -171.28729
   14    13 S   HC   HG11    14     1.09579   110.64129   -65.95001
   15    13 S   HC   HG12    15     1.09657   109.85627    53.36724
   16    13 S   C    _CD1    16     1.51755   111.99475   173.72564
   17    16 S   O    _OE1    17     1.22785   123.15545     6.39347
   18    16 S   N    _N2_    18     1.38579   111.94163  -173.78634
   19    18 S   H    _HN2    19     1.01577   119.26604     1.85330
   20    18 S   CT1  _CA2    20     1.45949   122.77151   176.69951
   21    20 S   HC   _HA2    21     1.09522   110.00042    17.39228
   22    20 S   C    _C2_    22     1.52826   105.11729   -98.80364
   23    22 S   O    _O2_    23     1.22925   122.92690   -99.04332
   24    20 S   CT   _CB2    32     1.53110   112.00149   140.20852
   25    24 S   HC   HB21    33     1.09521   110.47984    53.48858
   26    24 S   HC   HB22    34     1.09410   108.95154   172.52714
   27    22 S   N    _N3_    24     1.38585   112.63738    78.31033
   28    27 S   H    _HN3    25     1.01710   119.74462     0.58950
   29    24 S   S    _SG2    35     1.83338   110.38800   -67.43415
   30    27 S   CT   _CA3    26     1.45289   122.73437  -178.79488
   31    30 S   HC   HA31    27     1.09560   107.10924   -69.92998
   32    30 S   HC   HA32    28     1.09552   108.38791    46.41419
   33    29 S   CT   _C11    36     1.89852   101.33497  -177.64823
   34    33 S   OM   _O40    37     1.32062   105.83980   -68.30515
   35    30 S   CO3  _C3_    29     1.52875   114.25577   168.22656
   36    35 S   O2Z  _O31    30     1.26330   116.06109   -16.70929
   37    35 S   O2Z  _O32    31     1.26429   114.48805   163.62037
   38    33 S   CA   _C12    38     1.56425   109.46881    56.98902
   39    33 S   CM   _C10    70     1.54060   107.11394  -177.83544
   40    39 S   HC   _H10    71     1.09358   114.13311    26.60416
   41    38 S   CA   _C13    39     1.43750   121.29135    63.63800
   42    39 S   CMA  _C9_    72     1.35910   130.12541  -152.28494
   43    42 S   OM   _O41    73     1.26223   132.39884    -3.02492
   44    41 S   CA   _C14    40     1.41683   120.37063   179.12957
   45    44 S   HA   _H11    41     1.08837   119.40398  -179.87180
   46    41 S   CT   _C18    50     1.51980   125.54680    -1.67363
   47    46 S   HC   _H15    51     1.08728   112.93875    21.05102
   48    46 S   HC   _H16    52     1.09778   108.67129   137.81363
   49    42 S   CT   _C8_    74     1.52413   116.24407   178.30650
   50    49 S   HC   _H8_    75     1.09880   110.79871    38.91013
   51    49 S   HC   _H9_    76     1.09875   113.87973   156.87764
   52    44 S   CA   _C15    42     1.38532   121.26740     0.54823
   53    46 S   CO4  _C19    53     1.52059   114.07169  -102.16888
   54    53 S   O    _O37    54     1.23063   122.99694    -5.35599
   55    49 S   CO4  _C7_    77     1.52389   110.26164   -80.30845
   56    55 S   O    _O34    78     1.23222   120.85384    93.87906
   57    52 S   CA   _C16    43     1.38036   120.06262     0.29409
   58    57 S   HA   _H12    44     1.08663   119.43326   179.34748
   59    52 S   OH   _O36    48     1.36511   121.37648   179.85065
   60    59 S   HO   _H14    49     0.97226   108.48508     0.39860
   61    53 S   CT   _C20    55     1.51392   115.47616   175.96604
   62    61 S   HC   _H17    56     1.09512   108.29297    66.63756
   63    61 S   HC   _H18    57     1.09492   109.49007   -50.99971
   64    55 S   CT   _C6_    79     1.51452   117.02846   -87.82382
   65    64 S   HC   _H6_    80     1.09362   109.68104    32.80678
   66    64 S   HC   _H7_    81     1.09512   106.85923   -84.88438
   67    38 S   CA   _C17    45     1.42770   123.06265  -115.96126
   68    61 S   CO4  _C21    58     1.51107   114.17799  -172.43086
   69    68 S   O    _O38    59     1.23095   121.00612  -104.03510
   70    64 S   CO4  _C5_    82     1.51340   115.84459   153.64963
   71    70 S   O    _O33    83     1.22998   123.11633   -19.36143
   72    67 S   OH   _O35    46     1.37451   121.40753     1.70835
   73    72 S   HO   _H13    47     0.97044   109.79129  -176.88869
   74    68 S   CT   _C22    60     1.51252   116.72203    76.85491
   75    74 S   HC   _H19    61     1.09592   107.84157    75.12209
   76    74 S   HC   _H20    62     1.09335   109.74741   -41.14804
   77    70 S   CT   _C4_    84     1.50689   116.10858   163.20525
   78    77 S   HC   _H3_    85     1.09273   109.54207    61.00918
   79    77 S   HC   _H4_    86     1.09279   109.62957   -60.08193
   80    77 S   HC   _H5_    87     1.09357   109.73089  -179.40917
   81    74 S   CO4  _C23    63     1.50683   114.50694  -164.40881
   82    81 S   O    _O39    64     1.22578   122.84098  -100.03136
   83    81 S   S    _S1_    65     1.76564   114.37665    78.95234
   84    83 S   CT   _C24    66     1.80532   100.18419   167.36190
   85    84 S   HC   _H21    67     1.09313   109.29190  -178.23531
   86    84 S   HC   _H22    68     1.09331   110.53878    62.46564
   87    84 S   HC   _H23    69     1.09333   110.46000   -58.77304
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  16   9   3  13   7   4  11   4  10   4   3
   8   4   3   6   7   4   7   4   6   3   2   1   8   4   3   8
   4   3   2   7   4   5   4   1   1   6   4   3   3   2   1   1
   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    67    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    57    67    72    46    39    40    42    43    49  
   38    41    67    39    40    42  
   36    37  
   37  
    0  
   41    44    45    52    57    58    67    72    73    46    47    48    53    39    40    42  
   40    42    43    49    50    51    55    41    67  
   42    43    49  
   44    45    52    57    67    72    59    46    47    48    53    54    61  
   43    49    50    51    55    56    64  
   49    50    51    55  
   45    52    57    58    67    59    60    46    47    48    53  
   52    57    59    46  
   47    48    53    54    61    62    63    68    52    67  
   48    53    54    61  
   53    54    61  
   50    51    55    56    64    65    66    70  
   51    55    56    64  
   55    56    64  
   57    58    67    72    59    60  
   54    61    62    63    68    69    74  
   61    62    63    68  
   56    64    65    66    70    71    77  
   64    65    66    70  
   58    67    72    73    59    60  
   67    72    59  
   60    67  
    0  
   62    63    68    69    74    75    76    81  
   63    68    69    74  
   68    69    74  
   65    66    70    71    77    78    79    80  
   66    70    71    77  
   70    71    77  
   72    73  
   69    74    75    76    81    82    83  
   74    75    76    81  
   71    77    78    79    80  
   77    78    79    80  
   73  
    0  
   75    76    81    82    83    84  
   76    81    82    83  
   81    82    83  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87  
   83    84  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.175000   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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   84   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   570.000  1.307
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    67   469.000  1.400
   41    44   469.000  1.400
   41    46   317.000  1.510
   44    45   367.000  1.080
   44    52   469.000  1.400
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   57    67   469.000  1.400
   67    72   450.000  1.364
   72    73   553.000  0.945
   59    60   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   317.000  1.522
   53    54   570.000  1.229
   53    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   317.000  1.522
   68    69   570.000  1.229
   68    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    81   317.000  1.522
   81    82   570.000  1.229
   81    83   210.000  1.799
   83    84   222.000  1.810
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   39    40   340.000  1.080
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    49   270.000  1.512
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   317.000  1.522
   55    56   570.000  1.229
   55    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   317.000  1.522
   70    71   570.000  1.229
   70    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    67    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    42    70.00000  124.00000
   38    33    34    85.00000  111.85700
   38    41    44    63.00000  120.00000
   38    41    46    70.00000  120.00000
   38    67    57    63.00000  120.00000
   38    67    72    70.00000  120.00000
   41    44    45    35.00000  120.00000
   41    44    52    63.00000  120.00000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    53    70.00000  110.93000
   44    52    57    63.00000  120.00000
   44    52    59    70.00000  120.00000
   52    44    45    35.00000  120.00000
   52    57    58    35.00000  120.00000
   52    57    67    63.00000  120.00000
   52    59    60    35.00000  113.00000
   57    67    72    70.00000  120.00000
   67    38    41    63.00000  120.00000
   67    57    58    35.00000  120.00000
   67    72    73    35.00000  113.00000
   59    52    57    70.00000  120.00000
   46    41    44    70.00000  120.00000
   46    53    54    80.00000  120.40000
   46    53    61    70.00000  116.00000
   48    46    47    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    48    35.00000  109.50000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    68    75.00000  107.99600
   61    53    54    80.00000  120.40000
   61    68    69    80.00000  120.40000
   61    68    74    70.00000  116.00000
   63    61    62    33.00000  107.80000
   68    61    62    35.00000  109.50000
   68    61    63    35.00000  109.50000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    81    75.00000  107.99600
   74    68    69    80.00000  120.40000
   74    81    82    80.00000  120.40000
   74    81    83    70.00000  114.16300
   76    74    75    33.00000  107.80000
   81    74    75    35.00000  109.50000
   81    74    76    35.00000  109.50000
   81    83    84    90.00000   96.72000
   83    81    82    80.00000  121.30200
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   39    33    34    85.00000  110.90400
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    49    65.00000  122.18000
   42    39    40    40.00000  120.50800
   42    49    50    45.00000  110.52000
   42    49    51    45.00000  110.52000
   42    49    55    70.00000  109.06800
   49    42    43    85.00000  112.85300
   49    55    56    80.00000  120.40000
   49    55    64    70.00000  116.00000
   51    49    50    33.00000  107.80000
   55    49    50    35.00000  109.50000
   55    49    51    35.00000  109.50000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    70    75.00000  107.99600
   64    55    56    80.00000  120.40000
   64    70    71    80.00000  120.40000
   64    70    77    70.00000  116.00000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   77    70    71    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    67  -0.16000  1.0 1.0
   29    33    38    67  -0.03200 -1.0 2.0
   29    33    38    67   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    41    44   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    67    57   3.62500 -1.0 2.0
   33    38    67    72   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    49   7.00000 -1.0 2.0
   34    33    38    41   0.64500  1.0 1.0
   34    33    38    41   0.14800 -1.0 2.0
   34    33    38    41   0.20650  1.0 3.0
   34    33    38    67   0.64500  1.0 1.0
   34    33    38    67   0.14800 -1.0 2.0
   34    33    38    67   0.20650  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.39000  1.0 1.0
   34    33    39    42  -0.05800 -1.0 2.0
   34    33    39    42  -0.55150  1.0 3.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    41    44    45   3.62500 -1.0 2.0
   38    41    44    52   3.62500 -1.0 2.0
   38    41    46    47   0.00000  1.0 1.0
   38    41    46    48   0.00000  1.0 1.0
   38    41    46    53   0.04300 -1.0 2.0
   38    67    72    73   0.84100 -1.0 2.0
   41    38    67    57   3.62500 -1.0 2.0
   41    38    67    72   3.62500 -1.0 2.0
   41    44   -52    57   3.62500 -1.0 2.0
   41    44    52    59   3.62500 -1.0 2.0
   41    46    53    54   0.30150 -1.0 2.0
   41    46    53    61   0.65300  1.0 1.0
   41    46    53    61  -0.03850 -1.0 2.0
   41    46    53    61   0.33900  1.0 3.0
   44    41    46    47   0.00000  1.0 1.0
   44    41    46    48   0.00000  1.0 1.0
   44    41    46    53   0.04300 -1.0 2.0
   44    52    57    58   3.62500 -1.0 2.0
   44    52    57    67   3.62500 -1.0 2.0
   44    52    59    60   0.84100 -1.0 2.0
   45    44    52    57   3.62500 -1.0 2.0
   45    44    52    59   3.62500 -1.0 2.0
   52    57   -67    38   3.62500 -1.0 2.0
   52    57    67    72   3.62500 -1.0 2.0
   57    52    59    60   0.84100 -1.0 2.0
   57    67    72    73   0.84100 -1.0 2.0
   58    57    67    38   3.62500 -1.0 2.0
   58    57    67    72   3.62500 -1.0 2.0
   67    38   -41    44   3.62500 -1.0 2.0
   67    38    41    46   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   59    52    57    67   3.62500 -1.0 2.0
   46    41    44    45   3.62500 -1.0 2.0
   46    41    44    52   3.62500 -1.0 2.0
   46    53    61    62   0.00000  1.0 1.0
   46    53    61    63   0.00000  1.0 1.0
   46    53    61    68   0.65300  1.0 1.0
   46    53    61    68  -0.03850 -1.0 2.0
   46    53    61    68   0.33900  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    61   0.00000  1.0 1.0
   48    46    53    54   0.00000  1.0 1.0
   48    46    53    61   0.00000  1.0 1.0
   53    61    68    69   0.30150 -1.0 2.0
   53    61    68    74   0.65300  1.0 1.0
   53    61    68    74  -0.03850 -1.0 2.0
   53    61    68    74   0.33900  1.0 3.0
   54    53    61    62   0.00000  1.0 1.0
   54    53    61    63   0.00000  1.0 1.0
   54    53    61    68   0.30150 -1.0 2.0
   61    68    74    75   0.00000  1.0 1.0
   61    68    74    76   0.00000  1.0 1.0
   61    68    74    81   0.65300  1.0 1.0
   61    68    74    81  -0.03850 -1.0 2.0
   61    68    74    81   0.33900  1.0 3.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    74   0.00000  1.0 1.0
   63    61    68    69   0.00000  1.0 1.0
   63    61    68    74   0.00000  1.0 1.0
   68    74    81    82   0.30150 -1.0 2.0
   68    74    81    83   0.00000  1.0 1.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    76   0.00000  1.0 1.0
   69    68    74    81   0.30150 -1.0 2.0
   74    81    83    84  -0.11550  1.0 1.0
   74    81    83    84   1.88700 -1.0 2.0
   75    74    81    82   0.00000  1.0 1.0
   75    74    81    83   0.00000  1.0 1.0
   76    74    81    82   0.00000  1.0 1.0
   76    74    81    83   0.00000  1.0 1.0
   81    83    84    85   0.24000  1.0 3.0
   81    83    84    86   0.24000  1.0 3.0
   81    83    84    87   0.24000  1.0 3.0
   82    81    83    84  -0.11550  1.0 1.0
   82    81    83    84   1.88700 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    67   0.18050 -1.0 2.0
   39    42    49    50   0.00000  1.0 1.0
   39    42    49    51   0.00000  1.0 1.0
   39    42    49    55  -0.51250  1.0 1.0
   39    42    49    55  -0.88800 -1.0 2.0
   39    42    49    55   0.08850  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    49   7.00000 -1.0 2.0
   42    49    55    56   0.30150 -1.0 2.0
   42    49    55    64   0.65300  1.0 1.0
   42    49    55    64  -0.03850 -1.0 2.0
   42    49    55    64   0.33900  1.0 3.0
   43    42    49    50   0.00000  1.0 1.0
   43    42    49    51   0.00000  1.0 1.0
   43    42    49    55   0.09700  1.0 1.0
   43    42    49    55   0.15600 -1.0 2.0
   43    42    49    55  -0.50800  1.0 3.0
   49    55    64    65   0.00000  1.0 1.0
   49    55    64    66   0.00000  1.0 1.0
   49    55    64    70   0.65300  1.0 1.0
   49    55    64    70  -0.03850 -1.0 2.0
   49    55    64    70   0.33900  1.0 3.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    64   0.00000  1.0 1.0
   51    49    55    56   0.00000  1.0 1.0
   51    49    55    64   0.00000  1.0 1.0
   55    64    70    71   0.30150 -1.0 2.0
   55    64    70    77   0.65300  1.0 1.0
   55    64    70    77  -0.03850 -1.0 2.0
   55    64    70    77   0.33900  1.0 3.0
   56    55    64    65   0.00000  1.0 1.0
   56    55    64    66   0.00000  1.0 1.0
   56    55    64    70   0.30150 -1.0 2.0
   64    70    77    78   0.00000  1.0 1.0
   64    70    77    79   0.00000  1.0 1.0
   64    70    77    80   0.00000  1.0 1.0
   65    64    70    71   0.00000  1.0 1.0
   65    64    70    77   0.00000  1.0 1.0
   66    64    70    71   0.00000  1.0 1.0
   66    64    70    77   0.00000  1.0 1.0
   71    70    77    78   0.00000  1.0 1.0
   71    70    77    79   0.00000  1.0 1.0
   71    70    77    80   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    67    38    33   4.00000 -1.0 2.0
   44    46    41    38   4.00000 -1.0 2.0
   52    45    44    41   1.10000 -1.0 2.0
   57    59    52    44   4.00000 -1.0 2.0
   67    58    57    52   1.10000 -1.0 2.0
   57    72    67    38   4.00000 -1.0 2.0
   46    61    53    54  10.50000 -1.0 2.0
   61    74    68    69  10.50000 -1.0 2.0
   74    83    81    82  10.50000 -1.0 2.0
   33    40    39    42  15.00000 -1.0 2.0
   49    43    42    39  15.00000 -1.0 2.0
   49    64    55    56  10.50000 -1.0 2.0
   64    77    70    71  10.50000 -1.0 2.0
END
