* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    137    220     411
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045    47.88449  -129.64717
    3     1 S   H    _H1_     3     1.02120   105.63243   -28.42448
    4     1 S   H    _H2_     4     1.02079    64.63072    75.27873
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.80594    98.15691  -178.21469
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C8_    37     1.49860   107.62302   -59.99789
   38    37 S   HC   _H8_    38     1.08880   118.40032   -61.82067
   39    33 S   CT   _C6_    47     1.53335   108.73492  -178.92680
   40    39 S   HC   _H4_    48     1.09362   108.56051   -62.45974
   41    39 S   HC   _H5_    49     1.09404   107.84674    53.24545
   42    37 S   CM   _C7_    39     1.33397   123.56696   118.88249
   43    42 S   HC   _H7_    40     1.08361   121.05721   179.68041
   44    39 S   CT1  _C4_    50     1.52577   112.14146   174.73162
   45    44 S   HC   _H3_    51     1.09581   110.36226   -38.45263
   46    42 S   CO4  _C11    41     1.48143   121.14937    -0.28804
   47    46 S   O    _O4_    42     1.23118   118.38009  -179.49217
   48    44 S   NI   _N4_    52     1.46629   109.75865  -159.67196
   49    44 S   C    _C5_    76     1.51554   111.63803    81.45851
   50    49 S   O    _O1_    77     1.22376   124.98940    58.60784
   51    46 S   CMA  _C10    43     1.51537   119.48744     0.54823
   52    51 S   OM   _O3_    44     1.26196   114.90281   179.43352
   53    48 S   CD   _C14    53     1.28473   113.91977    91.54231
   54    53 S   HC   _H11    54     1.10464   122.30803   179.69999
   55    49 S   OH   _O33    78     1.35987   112.29247  -123.80155
   56    55 S   HO   _H6_    79     0.98128   114.36190  -177.70911
   57    33 S   CM   _C9_    45     1.50865   107.95560    61.81351
   58    57 S   HC   _H9_    46     1.09253   115.16999    62.04502
   59    53 S   CM   _C13    55     1.47522   121.58932     0.00000
   60    59 S   HC   _H10    56     1.08300   119.02535    59.67769
   61    59 S   CM   _C12    57     1.34094   119.18791  -120.28290
   62    61 S   CT   _C16    58     1.52027   121.95981    -0.96286
   63    62 S   HC   _H12    59     1.09876   107.10293   -94.44076
   64    62 S   HC   _H13    60     1.09780   110.75918    21.44332
   65    62 S   CT1  _C17    61     1.53838   113.81805   146.19686
   66    65 S   HC   _H14    62     1.09530   109.85669   162.30907
   67    65 S   NE   _N5_    63     1.45197   110.65588    41.11437
   68    67 S   H    _H16    64     1.01452   118.93231   161.38224
   69    65 S   C    _C15    72     1.49814   111.55509   -79.15076
   70    69 S   O    _O5_    73     1.22230   125.03331   119.78668
   71    67 S   CM   _C19    65     1.37314   122.45946   -28.75663
   72    69 S   OH   _O6_    74     1.35533   110.64179   -60.07317
   73    72 S   HO   _H15    75     0.98107   111.88953   179.86294
   74    61 S   CM   _C21    66     1.45617   121.72392   179.96044
   75    74 S   HC   _H17    67     1.08563   118.34055    11.14567
   76    71 S   C    _C20    68     1.46544   118.33026  -171.65713
   77    76 S   O    _O7_    69     1.21782   124.52858   178.77779
   78    76 S   OH   _O8_    70     1.34943   109.58473    -1.30461
   79    78 S   HO   _H18    71     0.98119   111.93985  -179.97202
  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  11   5   4   3
  16   2   1   1  12   5  13   6   5   6   3  10   5   5   3   8
   4   2   3   2   6   3   1   1   1   1   9   3  11  12   6   5
  10   6  10   4   4   2   6   1   1   4   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    51    57    58    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    51    52    57    58    39    40    41    44    45    48    49  
   35    36  
   36  
    0  
   38    42    43    46    47    51    57    58    39    40    41    44  
   42    43    46    57    39  
   40    41    44    45    48    53    49    50    55    42    51    57    58  
   41    44    45    48    49    57  
   44    45    48    49    57  
   43    46    47    51    52    57  
   46    47    51  
   45    48    53    54    59    49    50    55    56    57  
   48    53    49    50    55  
   47    51    52    57    58  
   51    52    57  
   53    54    59    60    61    49    50    55  
   50    55    56    53  
   55    56  
   52    57    58  
   57    58  
   54    59    60    61    62    74  
   59    60    61  
   56  
    0  
   58  
    0  
   60    61    62    63    64    65    71    74    75  
   61    62    74  
   62    63    64    65    66    67    71    74    75    76    69  
   63    64    65    66    67    68    71    74    75    69    70    72  
   64    65    66    67    74    69  
   65    66    67    74    69  
   66    67    68    71    74    76    69    70    72    73  
   67    68    71    69    70    72  
   68    71    74    75    76    77    78    69    70    72  
   71    74    76    69  
   70    72    73    71  
   72    73  
   74    75    76    77    78    79  
   73  
    0  
   75    76    77    78  
   76  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   49   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   51   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   53   3.7500   0.1050   0.352800   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   68   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   71   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   78   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    51   270.000  1.476
   51    52   745.000  1.250
   51    57   465.000  1.376
   57    58   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   315.000  1.431
   44    49   317.000  1.522
   48    53   500.000  1.261
   53    54   370.000  1.093
   53    59   320.000  1.464
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   317.000  1.510
   61    74   380.000  1.444
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   382.000  1.448
   65    69   317.000  1.522
   67    68   434.000  1.010
   67    71   425.000  1.378
   71    74   549.000  1.340
   71    76   410.000  1.444
   74    75   340.000  1.080
   76    77   570.000  1.229
   76    78   450.000  1.364
   78    79   553.000  0.945
   69    70   570.000  1.229
   69    72   450.000  1.364
   72    73   553.000  0.945
   49    50   570.000  1.229
   49    55   450.000  1.364
   55    56   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    57    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    57    51    70.00000  124.00000
   33    57    58    35.00000  117.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    58.35000  112.70000
   37    42    43    35.00000  120.00000
   37    42    46    65.00000  118.96000
   42    37    38    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    51    65.00000  118.65900
   46    42    43    40.00000  117.72500
   46    51    52    85.00000  116.28000
   46    51    57    65.00000  114.61000
   51    46    47    80.00000  120.81000
   51    57    58    40.00000  120.50800
   57    33    37    70.00000  110.12100
   57    51    52    65.00000  137.10300
   39    33    37    70.00000  112.02700
   39    33    57    70.00000  112.02700
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  110.18800
   39    44    49    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    53    75.00000  114.96100
   44    49    50    80.00000  120.40000
   44    49    55    80.00000  116.87500
   48    44    45    45.00000  110.38000
   48    53    54    45.00000  120.55300
   48    53    59    70.00000  121.86000
   53    59    60    40.00000  114.85300
   53    59    61    60.00000  120.31500
   59    53    54    40.00000  113.81000
   59    61    62    70.00000  124.00000
   59    61    74    70.00000  123.01800
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  109.50000
   61    62    64    35.00000  109.50000
   61    62    65    70.00000  112.02700
   61    74    71    70.00000  123.01800
   61    74    75    35.00000  120.00000
   62    65    66    37.50000  110.70000
   62    65    67    80.00000  111.61500
   62    65    69    63.00000  111.10000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    68    35.00000  112.50000
   65    67    71    50.00000  121.00000
   65    69    70    80.00000  120.40000
   65    69    72    80.00000  116.87500
   67    65    66    35.00000  109.50000
   67    71    74    70.00000  124.03900
   67    71    76    70.00000  117.92000
   71    67    68    35.00000  114.50000
   71    74    75    35.00000  120.00000
   71    76    77    80.00000  125.30000
   71    76    78    90.00000  111.55000
   74    61    62    70.00000  124.00000
   76    71    74    70.00000  118.70000
   76    78    79    35.00000  113.00000
   78    76    77   100.00000  123.32000
   69    65    66    35.00000  109.50000
   69    65    67    70.00000  113.51500
   69    72    73    35.00000  113.00000
   72    69    70   100.00000  123.32000
   49    44    45    35.00000  109.50000
   49    44    48    80.00000  108.92000
   49    55    56    35.00000  113.00000
   55    49    50   100.00000  123.32000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57  -0.62250  1.0 1.0
   24    29    33    57  -0.38450 -1.0 2.0
   24    29    33    57   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    51   0.42700  1.0 1.0
   29    33    57    51  -0.70350 -1.0 2.0
   29    33    57    51  -0.43150  1.0 3.0
   29    33    57    58   0.00000  1.0 1.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    48   0.56750  1.0 1.0
   33    39    44    48  -0.07550 -1.0 2.0
   33    39    44    48   0.20000  1.0 3.0
   33    39    44    49  -0.84850  1.0 1.0
   33    39    44    49  -0.22800 -1.0 2.0
   33    39    44    49   0.29250  1.0 3.0
   37    33    57    51  -0.28300  1.0 1.0
   37    33    57    51   0.26700 -1.0 2.0
   37    33    57    51  -0.63300  1.0 3.0
   37    33    57    58   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    42    46    47   1.00000 -1.0 2.0
   37    42   -46    51  -1.18350  1.0 1.0
   37    42   -46    51   1.45950 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    51    52   1.50000 -1.0 2.0
   42    46    51    57  -1.18350  1.0 1.0
   42    46    51    57   1.45950 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    51   0.93700 -1.0 2.0
   46    51   -57    33   7.00000 -1.0 2.0
   46    51    57    58   7.00000 -1.0 2.0
   47    46    51    52  -0.11900  1.0 1.0
   47    46    51    52   0.76850 -1.0 2.0
   47    46    51    52   0.14100  1.0 3.0
   47    46    51    57   1.00000 -1.0 2.0
   52    51    57    33   7.00000 -1.0 2.0
   52    51    57    58   7.00000 -1.0 2.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    42  -0.28300  1.0 1.0
   57    33   -37    42   0.26700 -1.0 2.0
   57    33   -37    42  -0.63300  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    44   0.34400  1.0 1.0
   57    33    39    44   0.09450 -1.0 2.0
   57    33    39    44   0.11100  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    57    51   0.09850  1.0 1.0
   39    33    57    51   0.15250 -1.0 2.0
   39    33    57    51  -0.50650  1.0 3.0
   39    33    57    58   0.00000  1.0 1.0
   39    44    48    53  -0.12500  1.0 1.0
   39    44    48    53  -0.12500 -1.0 2.0
   39    44    48    53   0.25000  1.0 3.0
   39    44    49    50   0.00000  1.0 1.0
   39    44    49    55   0.50000  1.0 1.0
   39    44    49    55   0.27300 -1.0 2.0
   39    44    49    55   0.22500  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    49  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.15000  1.0 3.0
   41    39    44    49  -0.03800  1.0 3.0
   44    48    53    54  -0.02700  1.0 1.0
   44    48    53    54   5.27600 -1.0 2.0
   44    48    53    59   6.00000 -1.0 2.0
   44    49    55    56   1.50000  1.0 1.0
   44    49    55    56   2.45000 -1.0 2.0
   45    44    48    53  -0.15000  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    55   0.00000  1.0 1.0
   48    44    49    50   0.30150 -1.0 2.0
   48    44    49    55   0.40000  1.0 3.0
   48    53    59    60   1.00600 -1.0 2.0
   48    53    59    61   1.09650  1.0 1.0
   48    53    59    61   0.48950 -1.0 2.0
   48    53    59    61   0.49400  1.0 3.0
   53    59    61    62   7.00000 -1.0 2.0
   53    59    61    74   7.00000 -1.0 2.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   1.36050 -1.0 2.0
   59    61    62    63   0.00000  1.0 1.0
   59    61    62    64   0.00000  1.0 1.0
   59    61    62    65   0.09850  1.0 1.0
   59    61    62    65   0.15250 -1.0 2.0
   59    61    62    65  -0.50650  1.0 3.0
   59    61    74    71   0.28850  1.0 1.0
   59    61    74    71   2.61350 -1.0 2.0
   59    61    74    71   0.78400  1.0 3.0
   59    61    74    75  -0.18600  1.0 3.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    74   7.00000 -1.0 2.0
   61    62    65    66   0.15000  1.0 3.0
   61    62    65    67   0.21700  1.0 1.0
   61    62    65    67   0.68550 -1.0 2.0
   61    62    65    67  -0.27950  1.0 3.0
   61    62    65    69  -0.98800  1.0 1.0
   61    62    65    69   0.48800 -1.0 2.0
   61    62    65    69   0.76800  1.0 3.0
   62    61    74    71  -0.18600  1.0 3.0
   62    61    74    75   0.00000  1.0 1.0
   62    65    67    68   0.00000  1.0 1.0
   62    65   -67    71   0.25450  1.0 1.0
   62    65   -67    71  -0.61700 -1.0 2.0
   62    65   -67    71  -0.23550  1.0 3.0
   62    65    69    70   0.00000  1.0 1.0
   62    65    69    72   0.50000  1.0 1.0
   62    65    69    72   0.27300 -1.0 2.0
   62    65    69    72   0.22500  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.22950  1.0 3.0
   63    62    65    69  -0.03800  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.22950  1.0 3.0
   64    62    65    69  -0.03800  1.0 3.0
   65    67    71    74  -0.54700  1.0 1.0
   65    67    71    74   1.23000 -1.0 2.0
   65    67    71    76   1.00000 -1.0 2.0
   65    69    72    73   1.50000  1.0 1.0
   65    69    72    73   2.45000 -1.0 2.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    71   0.00000  1.0 1.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    72   0.00000  1.0 1.0
   67    65    69    70   0.00000  1.0 1.0
   67    65    69    72   0.40000  1.0 3.0
   67    71   -74    61   7.00000 -1.0 2.0
   67    71    74    75   7.00000 -1.0 2.0
   67    71    76    77  -0.52200  1.0 1.0
   67    71    76    77   0.82950 -1.0 2.0
   67    71    76    78   1.50000 -1.0 2.0
   68    67    71    74   1.00000 -1.0 2.0
   68    67    71    76   1.00000 -1.0 2.0
   71    76    78    79   1.22000  1.0 1.0
   71    76    78    79   0.17300 -1.0 2.0
   74    61    62    63   0.00000  1.0 1.0
   74    61    62    64   0.00000  1.0 1.0
   74    61   -62    65   0.98200  1.0 1.0
   74    61   -62    65  -0.11900 -1.0 2.0
   74    61   -62    65   0.24250  1.0 3.0
   74    71    76    77   1.00000 -1.0 2.0
   74    71    76    78  -0.01000  1.0 1.0
   74    71    76    78   1.29850 -1.0 2.0
   74    71    76    78  -0.09550  1.0 3.0
   76    71    74    61   7.00000 -1.0 2.0
   76    71    74    75   7.00000 -1.0 2.0
   77    76    78    79   0.92200  1.0 1.0
   77    76    78    79   3.74100 -1.0 2.0
   69    65    67    68   0.00000  1.0 1.0
   69    65    67    71  -0.12500  1.0 1.0
   69    65    67    71  -0.12500 -1.0 2.0
   69    65    67    71   0.25000  1.0 3.0
   70    69    72    73   0.92200  1.0 1.0
   70    69    72    73   3.74100 -1.0 2.0
   49    44    48    53  -0.12500  1.0 1.0
   49    44    48    53  -0.12500 -1.0 2.0
   49    44    48    53   0.25000  1.0 3.0
   50    49    55    56   0.92200  1.0 1.0
   50    49    55    56   3.74100 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    51    46    47  10.50000 -1.0 2.0
   46    52    51    57   1.10000 -1.0 2.0
   33    58    57    51   1.10000 -1.0 2.0
   59    54    53    48  10.50000 -1.0 2.0
   53    60    59    61   1.10000 -1.0 2.0
   62    74    61    59   1.10000 -1.0 2.0
   68    71    67    65   1.00000 -1.0 2.0
   67    76    71    74   1.10000 -1.0 2.0
   61    75    74    71   1.10000 -1.0 2.0
   71    78    76    77  10.50000 -1.0 2.0
   65    72    69    70  10.50000 -1.0 2.0
   44    55    49    50  10.50000 -1.0 2.0
END
