* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    160    255     465
    1     0 S   NP   _N1_     1    28.97111    95.02611   -26.45553
    2     1 S   H    _HN1     2     1.02946    76.55216     5.86224
    3     1 S   H    _H1_     3     1.02826    31.05061  -163.42211
    4     1 S   H    _H2_     4     1.02795   124.13884   -97.41493
    5     1 S   CT   _CA1     5     1.50122   117.68055   112.09941
    6     5 S   HC   _HA1     6     1.09573   105.15082    92.55616
    7     5 S   CO3  _C1_     7     1.53764   112.52762   -27.64377
    8     7 S   O2Z  _O11     8     1.26377   114.99791   -41.26601
    9     7 S   O2Z  _O12     9     1.26238   114.94321   137.77001
   10     5 S   CT   _CB1    10     1.53059   107.41052  -149.45465
   11    10 S   HC   HB11    11     1.09843   109.31267   -49.23681
   12    10 S   HC   HB12    12     1.09810   110.47838    67.35751
   13    10 S   CT   _CG1    13     1.53024   112.64938  -170.16725
   14    13 S   HC   HG11    14     1.09564   110.76185   -68.10505
   15    13 S   HC   HG12    15     1.09670   109.66690    51.14317
   16    13 S   C    _CD1    16     1.51809   111.94068   171.65164
   17    16 S   O    _OE1    17     1.22757   123.16257    14.16903
   18    16 S   N    _N2_    18     1.38648   111.86271  -165.87045
   19    18 S   H    _HN2    19     1.01573   118.96668     1.01529
   20    18 S   CT1  _CA2    20     1.46219   123.36299   175.95291
   21    20 S   HC   _HA2    21     1.09737   109.30434     7.67885
   22    20 S   C    _C2_    22     1.53691   108.75940  -107.79646
   23    22 S   O    _O2_    23     1.23076   122.24361  -148.43625
   24    20 S   CT   _CB2    32     1.53301   111.66903   129.72549
   25    24 S   HC   HB21    33     1.09596   110.10099    56.08585
   26    24 S   HC   HB22    34     1.09424   110.03186   175.00339
   27    22 S   N    _N3_    24     1.38306   113.85007    39.02308
   28    27 S   H    _HN3    25     1.01540   119.62825    -3.06963
   29    24 S   S    _SG2    35     1.82798   111.55918   -64.63044
   30    27 S   CT   _CA3    26     1.45288   123.33729   177.28560
   31    30 S   HC   HA31    27     1.09546   107.48984   -65.40997
   32    30 S   HC   HA32    28     1.09553   108.03526    51.07126
   33    29 S   CT   _C21    36     1.85187    99.39551   179.35593
   34    33 S   HC   _H7_    37     1.09134   104.13039   -39.27598
   35    30 S   CO3  _C3_    29     1.52993   113.99319   173.06622
   36    35 S   O2Z  _O31    30     1.26391   116.06061    -1.14825
   37    35 S   O2Z  _O32    31     1.26422   114.42611   178.91972
   38    33 S   CM   _C13    38     1.53345   108.07472  -157.09176
   39    33 S   CT   _C6_    54     1.55736   112.37604    75.90238
   40    39 S   HC   _H3_    55     1.09796   109.06789   -21.09659
   41    38 S   CT   _C9_    39     1.54080   114.24645   -75.08705
   42    41 S   HC   _H5_    40     1.10027   107.32941   100.00364
   43    39 S   CT   _C5_    56     1.54797   110.01818  -137.25945
   44    43 S   HC   _H11    57     1.09679   110.01732   -63.03103
   45    43 S   HC   _H12    58     1.09720   109.19069    53.89210
   46    38 S   CMA  _C14    63     1.36999   122.76986   104.79311
   47    46 S   OM   _O36    64     1.26211   128.90729  -179.96044
   48    41 S   CT   _C10    41     1.54259   117.15372  -138.50008
   49    48 S   HC   _H15    42     1.09747   110.82854    44.98486
   50    48 S   HC   _H16    43     1.09378   112.98143   -76.42288
   51    43 S   CT   _C4_    59     1.52306   113.57757   174.20888
   52    51 S   HC   _H8_    60     1.09454   110.97493   -55.75553
   53    51 S   HC   _H9_    61     1.09479   109.99718  -175.20842
   54    51 S   HC   _H10    62     1.09388   111.67227    65.40645
   55    46 S   NE   _N4_    65     1.39878   120.73769    -4.66128
   56    55 S   H    _H19    66     1.01195   116.16424   -19.75614
   57    48 S   CT   _C11    44     1.52236   105.51373   164.04203
   58    57 S   HC   _H17    45     1.09198   111.84166  -151.79929
   59    57 S   HC   _H18    46     1.09364   111.50621    83.40752
   60    55 S   C3T  _C15    67     1.49263   124.41823   139.05995
   61    57 S   CO4  _C12    47     1.49932   101.82608   -32.70713
   62    61 S   O    _O33    48     1.22508   123.63790  -165.50162
   63    60 S   C3T  _C16    68     1.52219   120.72316    82.77512
   64    63 S   HC   _H20    69     1.08415   118.33494    -3.59575
   65    63 S   HC   _H21    70     1.08382   118.61839  -147.33734
   66    60 S   CO3  _C20    80     1.48882   114.49208   -68.55485
   67    66 S   O2Z  _O35    81     1.27560   117.37669   -63.20740
   68    66 S   O2Z  _O34    82     1.27460   118.60438   116.85293
   69    41 S   CT   _C8_    49     1.54572   113.47606   -18.50119
   70    69 S   HC   _H4_    50     1.09542   110.90473    88.72499
   71    60 S   C3T  _C17    71     1.53685   116.18561   150.23156
   72    71 S   HC   _H6_    72     1.08595   117.48670    -5.77251
   73    69 S   CT   _C7_    51     1.51851   112.01917   -36.83971
   74    73 S   HC   _H13    52     1.09769   109.82885  -175.60301
   75    73 S   HC   _H14    53     1.09847   109.55995   -60.17209
   76    71 S   CT   _C18    73     1.49928   123.88165   141.58516
   77    76 S   HC   _H22    74     1.09555   111.70584    29.13635
   78    76 S   HC   _H23    75     1.09643   108.54295   146.34639
   79    76 S   CT   _C19    76     1.52049   111.57668   -93.83728
   80    79 S   HC   _H24    77     1.09512   110.93459   -59.72489
   81    79 S   HC   _H25    78     1.09434   110.36188  -179.56076
   82    79 S   HC   _H26    79     1.09401   111.35826    60.16567
  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   9   5   4   3
  18   7   2   1   1  18  16   8  17   9  10   6   5   9   3  10
   6   5   4   2   1   1  11   4   7   4   3  12   6   3  11   5
   4   5   2   1   4   3   8   4   2   1   1   6   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    73    39    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    48    69    73    74    75    39    40    43    44    45    51    46    47    55  
   38    41    73    39    40    43    46  
   36    37  
   37  
    0  
   41    42    48    49    50    57    61    69    70    73    39    40    43    46    47    55    56    60  
   40    43    44    45    51    52    53    54    46    41    61    69    70    73    74    75  
   43    44    45    51    69    73    74    75  
   42    48    49    50    57    58    59    61    62    69    70    73    74    75    46    47    55  
   48    49    50    57    61    69    70    73    46  
   44    45    51    52    53    54    69    73    74    75  
   45    51    52    53    54    73  
   51    52    53    54    73  
   47    55    56    60    63    71    66    48    69  
   55    56    60  
   49    50    57    58    59    61    62    69    70    73  
   50    57    58    59    61    69  
   57    58    59    61    69  
   52    53    54    73  
   53    54  
   54  
    0  
   56    60    63    64    65    71    72    76    66    67    68  
   60    63    71    66  
   58    59    61    62    69    70    73  
   59    61    62    69  
   61    62    69  
   63    64    65    71    72    76    77    78    79    66    67    68  
   62    69    70    73    74    75  
   69    70    73  
   64    65    71    72    76    77    78    79    66    67    68  
   65    71    72    76    66  
   71    72    76    66  
   67    68    71    72    76  
   68    71  
   71  
   70    73    74    75  
   73    74    75  
   72    76    77    78    79    80    81    82  
   76    77    78    79  
   74    75  
   75  
    0  
   77    78    79    80    81    82  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82  
   81    82  
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.998700   1.8650   1.6500   0.051222218  -2.220205820
   56   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   317.000  1.510
   38    46   465.000  1.376
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    69   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   317.000  1.522
   61    62   570.000  1.229
   61    69   317.000  1.522
   69    70   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    39   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   46    47   745.000  1.250
   46    55   415.000  1.382
   55    56   434.000  1.010
   55    60   382.000  1.448
   60    63   260.000  1.509
   60    71   260.000  1.509
   60    66   317.000  1.522
   63    64   340.000  1.088
   63    65   340.000  1.088
   63    71   260.000  1.509
   71    72   340.000  1.088
   71    76   275.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   66    67   656.000  1.250
   66    68   656.000  1.250
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    39    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    46    70.00000  124.00000
   33    39    73    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  109.50000
   38    41    48    70.00000  112.02700
   38    41    69    70.00000  112.02700
   38    46    47    65.00000  137.10300
   38    46    55    75.00000  114.40000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    57    58.35000  112.70000
   41    69    61    63.00000  111.10000
   41    69    70    37.50000  110.70000
   41    69    73    58.35000  112.70000
   48    41    42    37.50000  110.70000
   48    57    58    37.50000  110.70000
   48    57    59    37.50000  110.70000
   48    57    61    63.00000  111.10000
   50    48    49    33.00000  107.80000
   57    48    49    37.50000  110.70000
   57    48    50    37.50000  110.70000
   57    61    62    80.00000  120.40000
   57    61    69    70.00000  116.00000
   59    57    58    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    35.00000  109.50000
   61    69    70    35.00000  109.50000
   61    69    73    63.00000  111.10000
   69    41    42    37.50000  110.70000
   69    41    48    58.35000  112.70000
   69    61    62    80.00000  120.40000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    39    58.35000  112.70000
   73    69    70    37.50000  110.70000
   73    39    40    37.50000  110.70000
   73    39    43    58.35000  112.70000
   75    73    74    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    73    74    37.50000  110.70000
   39    73    75    37.50000  110.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    51    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   45    43    44    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    45    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   46    38    41    70.00000  124.00000
   46    55    56    50.00000  121.48000
   46    55    60    50.00000  121.00000
   55    46    47   105.00000  113.92000
   55    60    63    70.00000  118.23000
   55    60    71    70.00000  118.23000
   55    60    66    70.00000  113.51500
   60    55    56    35.00000  112.50000
   60    63    64    37.50000  117.20000
   60    63    65    37.50000  117.20000
   60    63    71    10.00000   60.00500
   60    71    63    10.00000   60.00500
   60    71    72    37.50000  117.20000
   60    71    76    60.00000  120.94000
   60    66    67    70.00000  117.00000
   60    66    68    70.00000  117.00000
   63    71    72    37.50000  117.20000
   63    71    76    60.00000  120.94000
   65    63    64    35.00000  114.30000
   71    60    63    10.00000   60.00500
   71    63    64    37.50000  117.20000
   71    63    65    37.50000  117.20000
   71    76    77    45.00000  109.38400
   71    76    78    45.00000  109.38400
   71    76    79    70.00000  112.37300
   76    71    72    40.00000  115.04500
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   66    60    63    65.00000  116.19300
   66    60    71    65.00000  116.19300
   68    66    67    80.00000  126.00000
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    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    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    46   0.42700  1.0 1.0
   29    33    38    46  -0.70350 -1.0 2.0
   29    33    38    46  -0.43150  1.0 3.0
   29    33    39    73   0.44750  1.0 1.0
   29    33    39    73  -0.17800 -1.0 2.0
   29    33    39    73   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    48   0.46850  1.0 1.0
   33    38    41    48   0.08550 -1.0 2.0
   33    38    41    48   0.09800  1.0 3.0
   33    38    41    69   0.46850  1.0 1.0
   33    38    41    69   0.08550 -1.0 2.0
   33    38    41    69   0.09800  1.0 3.0
   33    38    46    47   7.00000 -1.0 2.0
   33    38    46    55   7.00000 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    51   0.56750  1.0 1.0
   33    39    43    51  -0.07550 -1.0 2.0
   33    39    43    51   0.20000  1.0 3.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    46   0.00000  1.0 1.0
   34    33    39    73   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   38    33    39    73   0.34400  1.0 1.0
   38    33    39    73   0.09450 -1.0 2.0
   38    33    39    73   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.34400  1.0 1.0
   38    33    39    43   0.09450 -1.0 2.0
   38    33    39    43   0.11100  1.0 3.0
   38    41    48    49   0.15000  1.0 3.0
   38    41    48    50   0.15000  1.0 3.0
   38    41    48    57   0.34400  1.0 1.0
   38    41    48    57   0.09450 -1.0 2.0
   38    41    48    57   0.11100  1.0 3.0
   38    41    69    61  -0.98800  1.0 1.0
   38    41    69    61   0.48800 -1.0 2.0
   38    41    69    61   0.76800  1.0 3.0
   38    41    69    70   0.15000  1.0 3.0
   38    41   -69    73   0.34400  1.0 1.0
   38    41   -69    73   0.09450 -1.0 2.0
   38    41   -69    73   0.11100  1.0 3.0
   38    46    55    56   1.00000 -1.0 2.0
   38    46    55    60  -0.54700  1.0 1.0
   38    46    55    60   1.23000 -1.0 2.0
   41    38    46    47   7.00000 -1.0 2.0
   41    38    46    55   7.00000 -1.0 2.0
   41    48    57    58   0.15000  1.0 3.0
   41    48    57    59   0.15000  1.0 3.0
   41    48   -57    61  -0.95700  1.0 1.0
   41    48   -57    61  -0.18200 -1.0 2.0
   41    48   -57    61   0.29450  1.0 3.0
   41    69    73    74   0.15000  1.0 3.0
   41    69    73    75   0.15000  1.0 3.0
   41    69    73    39   0.56750  1.0 1.0
   41    69    73    39  -0.07550 -1.0 2.0
   41    69    73    39   0.20000  1.0 3.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    50   0.15000  1.0 3.0
   42    41    48    57   0.15000  1.0 3.0
   42    41    69    61  -0.11250  1.0 3.0
   42    41    69    70   0.15000  1.0 3.0
   42    41    69    73   0.15000  1.0 3.0
   48    41   -69    61  -0.95700  1.0 1.0
   48    41   -69    61  -0.18200 -1.0 2.0
   48    41   -69    61   0.29450  1.0 3.0
   48    41    69    70   0.15000  1.0 3.0
   48    41    69    73   0.56750  1.0 1.0
   48    41    69    73  -0.07550 -1.0 2.0
   48    41    69    73   0.20000  1.0 3.0
   48    57    61    62   0.30150 -1.0 2.0
   48    57   -61    69   0.60050  1.0 1.0
   48    57   -61    69   0.05600 -1.0 2.0
   48    57   -61    69   0.26150  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   49    48    57    61  -0.11250  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    59   0.15000  1.0 3.0
   50    48    57    61  -0.11250  1.0 3.0
   57    61   -69    41   0.60050  1.0 1.0
   57    61   -69    41   0.05600 -1.0 2.0
   57    61   -69    41   0.26150  1.0 3.0
   57    61    69    70   0.00000  1.0 1.0
   57    61    69    73   0.60050  1.0 1.0
   57    61    69    73   0.05600 -1.0 2.0
   57    61    69    73   0.26150  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    69   0.00000  1.0 1.0
   59    57    61    62   0.00000  1.0 1.0
   59    57    61    69   0.00000  1.0 1.0
   61    69    73    74  -0.11250  1.0 3.0
   61    69    73    75  -0.11250  1.0 3.0
   61    69    73    39  -0.95700  1.0 1.0
   61    69    73    39  -0.18200 -1.0 2.0
   61    69    73    39   0.29450  1.0 3.0
   62    61    69    41   0.30150 -1.0 2.0
   62    61    69    70   0.00000  1.0 1.0
   62    61    69    73   0.30150 -1.0 2.0
   69    41    48    49   0.15000  1.0 3.0
   69    41    48    50   0.15000  1.0 3.0
   69    41   -48    57   0.56750  1.0 1.0
   69    41   -48    57  -0.07550 -1.0 2.0
   69    41   -48    57   0.20000  1.0 3.0
   69    73   -39    33   0.56750  1.0 1.0
   69    73   -39    33  -0.07550 -1.0 2.0
   69    73   -39    33   0.20000  1.0 3.0
   69    73    39    40   0.15000  1.0 3.0
   69    73    39    43   0.56750  1.0 1.0
   69    73    39    43  -0.07550 -1.0 2.0
   69    73    39    43   0.20000  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    39   0.15000  1.0 3.0
   73    39    43    44   0.15000  1.0 3.0
   73    39    43    45   0.15000  1.0 3.0
   73    39    43    51   0.56750  1.0 1.0
   73    39    43    51  -0.07550 -1.0 2.0
   73    39    43    51   0.20000  1.0 3.0
   74    73    39    33   0.15000  1.0 3.0
   74    73    39    40   0.15000  1.0 3.0
   74    73    39    43   0.15000  1.0 3.0
   75    73    39    33   0.15000  1.0 3.0
   75    73    39    40   0.15000  1.0 3.0
   75    73    39    43   0.15000  1.0 3.0
   39    33   -38    41   0.46850  1.0 1.0
   39    33   -38    41   0.08550 -1.0 2.0
   39    33   -38    41   0.09800  1.0 3.0
   39    33    38    46   0.09850  1.0 1.0
   39    33    38    46   0.15250 -1.0 2.0
   39    33    38    46  -0.50650  1.0 3.0
   39    43    51    52   0.15000  1.0 3.0
   39    43    51    53   0.15000  1.0 3.0
   39    43    51    54   0.15000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   45    43    51    52   0.15000  1.0 3.0
   45    43    51    53   0.15000  1.0 3.0
   45    43    51    54   0.15000  1.0 3.0
   46    38    41    42   0.00000  1.0 1.0
   46    38    41    48   0.09850  1.0 1.0
   46    38    41    48   0.15250 -1.0 2.0
   46    38    41    48  -0.50650  1.0 3.0
   46    38    41    69   0.09850  1.0 1.0
   46    38    41    69   0.15250 -1.0 2.0
   46    38    41    69  -0.50650  1.0 3.0
   46    55    60    63   0.25450  1.0 1.0
   46    55    60    63  -0.61700 -1.0 2.0
   46    55    60    63  -0.23550  1.0 3.0
   46    55    60    71   0.25450  1.0 1.0
   46    55    60    71  -0.61700 -1.0 2.0
   46    55    60    71  -0.23550  1.0 3.0
   46    55    60    66  -0.12500  1.0 1.0
   46    55    60    66  -0.12500 -1.0 2.0
   46    55    60    66   0.25000  1.0 3.0
   47    46    55    56   1.00000 -1.0 2.0
   47    46    55    60   1.00000 -1.0 2.0
   55    60    63    64   0.22950  1.0 3.0
   55    60    63    65   0.22950  1.0 3.0
   55    60   -63    71   1.26750  1.0 1.0
   55    60   -63    71  -0.00950 -1.0 2.0
   55    60   -63    71   0.30600  1.0 3.0
   55    60   -71    63   1.26750  1.0 1.0
   55    60   -71    63  -0.00950 -1.0 2.0
   55    60   -71    63   0.30600  1.0 3.0
   55    60    71    72   0.22950  1.0 3.0
   55    60    71    76   1.26750  1.0 1.0
   55    60    71    76  -0.00950 -1.0 2.0
   55    60    71    76   0.30600  1.0 3.0
   55    60    66    67   0.00000  1.0 1.0
   55    60    66    68   0.00000  1.0 1.0
   56    55    60    63   0.00000  1.0 1.0
   56    55    60    71   0.00000  1.0 1.0
   56    55    60    66   0.00000  1.0 1.0
   60    63   -71    72   0.15000  1.0 3.0
   60    63   -71    76   0.07850  1.0 1.0
   60    63   -71    76  -0.03950 -1.0 2.0
   60    63   -71    76   0.67350  1.0 3.0
   60    71    76    77   0.15000  1.0 3.0
   60    71    76    78   0.15000  1.0 3.0
   60    71    76    79   0.07850  1.0 1.0
   60    71    76    79  -0.03950 -1.0 2.0
   60    71    76    79   0.67350  1.0 3.0
   63    60   -71    72   0.15000  1.0 3.0
   63    60   -71    76   0.07850  1.0 1.0
   63    60   -71    76  -0.03950 -1.0 2.0
   63    60   -71    76   0.67350  1.0 3.0
   63    60    66    67   0.41150 -1.0 2.0
   63    60    66    68   0.41150 -1.0 2.0
   63    71    76    77   0.15000  1.0 3.0
   63    71    76    78   0.15000  1.0 3.0
   63    71    76    79   0.07850  1.0 1.0
   63    71    76    79  -0.03950 -1.0 2.0
   63    71    76    79   0.67350  1.0 3.0
   64    63   -71    60   0.15000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    76   0.15000  1.0 3.0
   65    63   -71    60   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    76   0.15000  1.0 3.0
   71    60   -63    64   0.15000  1.0 3.0
   71    60   -63    65   0.15000  1.0 3.0
   71    60    66    67   0.41150 -1.0 2.0
   71    60    66    68   0.41150 -1.0 2.0
   71    76    79    80   0.15000  1.0 3.0
   71    76    79    81   0.15000  1.0 3.0
   71    76    79    82   0.15000  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   66    60    63    64   0.15000  1.0 3.0
   66    60    63    65   0.15000  1.0 3.0
   66    60   -63    71  -1.63150  1.0 1.0
   66    60   -63    71  -0.43550 -1.0 2.0
   66    60   -63    71   0.24500  1.0 3.0
   66    60   -71    63  -1.63150  1.0 1.0
   66    60   -71    63  -0.43550 -1.0 2.0
   66    60   -71    63   0.24500  1.0 3.0
   66    60    71    72   0.15000  1.0 3.0
   66    60    71    76  -1.63150  1.0 1.0
   66    60    71    76  -0.43550 -1.0 2.0
   66    60    71    76   0.24500  1.0 3.0
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    41    38    46   1.10000 -1.0 2.0
   57    69    61    62  10.50000 -1.0 2.0
   55    47    46    38   1.10000 -1.0 2.0
   56    46    55    60   1.00000 -1.0 2.0
   67    60    66    68  10.50000 -1.0 2.0
END
