* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    163    260     487
    1     0 S   NP   _N1_     1    29.00747    94.03502   -25.02298
    2     1 S   H    _HN1     2     1.02829    22.00103  -171.62949
    3     1 S   H    _H1_     3     1.02787   114.95347   -95.93692
    4     1 S   H    _H2_     4     1.02950    85.11848    12.06942
    5     1 S   CT   _CA1     5     1.50115   121.69919   123.07603
    6     5 S   HC   _HA1     6     1.09575   105.18672    80.58627
    7     5 S   CO3  _C1_     7     1.53788   112.48091   -39.63338
    8     7 S   O2Z  _O11     8     1.26374   115.00515   -42.06151
    9     7 S   O2Z  _O12     9     1.26243   114.94797   137.06193
   10     5 S   CT   _CB1    10     1.53080   107.41965  -161.43108
   11    10 S   HC   HB11    11     1.09834   109.35971   -49.65950
   12    10 S   HC   HB12    12     1.09813   110.45301    66.94849
   13    10 S   CT   _CG1    13     1.52991   112.61070  -170.63594
   14    13 S   HC   HG11    14     1.09581   110.63738   -66.05812
   15    13 S   HC   HG12    15     1.09672   109.77587    53.17238
   16    13 S   C    _CD1    16     1.51803   112.21768   173.62256
   17    16 S   O    _OE1    17     1.22735   123.29143     7.57043
   18    16 S   N    _N2_    18     1.38660   111.67834  -172.51822
   19    18 S   H    _HN2    19     1.01581   118.93806     1.58832
   20    18 S   CT1  _CA2    20     1.46179   123.37177   177.25962
   21    20 S   HC   _HA2    21     1.09738   109.34241     3.09035
   22    20 S   C    _C2_    22     1.53574   108.73387  -112.37592
   23    22 S   O    _O2_    23     1.23068   122.22835  -148.80930
   24    20 S   CT   _CB2    32     1.53357   111.61367   125.08491
   25    24 S   HC   HB21    33     1.09584   110.05528    55.99960
   26    24 S   HC   HB22    34     1.09404   109.98218   175.00378
   27    22 S   N    _N3_    24     1.38310   113.75804    38.69046
   28    27 S   H    _HN3    25     1.01582   119.59165    -3.38368
   29    24 S   S    _SG2    35     1.82800   111.48562   -64.83201
   30    27 S   CT   _CA3    26     1.45290   123.24155   177.10085
   31    30 S   HC   HA31    27     1.09548   107.51472   -64.49582
   32    30 S   HC   HA32    28     1.09556   107.98310    51.94844
   33    29 S   CT   _C10    36     1.84621    99.75581   175.25179
   34    33 S   HC   _H3_    37     1.09697   106.75923   -39.33952
   35    30 S   CO3  _C3_    29     1.52968   114.06229   173.94013
   36    35 S   O2Z  _O31    30     1.26379   116.06313    -0.67753
   37    35 S   O2Z  _O32    31     1.26426   114.41573   179.38198
   38    33 S   CA   _C7_    38     1.52223   109.09264  -156.11804
   39    33 S   CT   _C11    49     1.54112   110.18118    78.50447
   40    39 S   HC   _H11    50     1.09541   110.35060    66.95290
   41    39 S   HC   _H12    51     1.09620   110.02748   -52.33859
   42    38 S   CA   _C6_    39     1.40479   119.41700   106.90916
   43    42 S   HA   _H8_    40     1.08754   120.39411     0.37639
   44    39 S   C    _C12    52     1.52676   113.27668  -170.81866
   45    44 S   O    _O33    53     1.23297   120.76816     8.36156
   46    42 S   CA   _C5_    41     1.39627   120.82824  -179.87028
   47    46 S   HA   _H7_    42     1.08626   119.91668  -179.79064
   48    44 S   N    _N4_    54     1.39713   116.26096  -172.29528
   49    46 S   CA   _C4_    43     1.39242   120.08065     0.24945
   50    49 S   HA   _H6_    44     1.08605   120.06445   179.93147
   51    48 S   CT   _C13    55     1.46027   119.69347   175.08542
   52    51 S   HC   _H13    56     1.09623   107.84147   121.54337
   53    51 S   HC   _H14    57     1.09429   111.28785     3.80498
   54    49 S   CA   _C9_    45     1.39261   119.86099     0.15323
   55    54 S   HA   _H10    46     1.08632   119.94164   179.59266
   56    51 S   CT   _C14    58     1.52309   109.55670  -117.77913
   57    56 S   HC   _H15    59     1.09555   109.93365  -176.24151
   58    56 S   HC   _H16    60     1.09733   109.41234    66.29465
   59    38 S   CA   _C8_    47     1.40457   122.24208   -72.31101
   60    59 S   HA   _H9_    48     1.08663   120.78846     0.43521
   61    56 S   CT   _C15    61     1.53117   111.48390   -54.24043
   62    61 S   HC   _H17    62     1.09522   107.82370   174.77655
   63    61 S   HC   _H18    63     1.09743   109.19494   -69.09076
   64    61 S   CT   _C16    64     1.54781   112.38923    52.71582
   65    64 S   HC   _H4_    65     1.09962   107.35402    64.94194
   66    48 S   CT   _C17    66     1.46730   126.07212    -1.76370
   67    66 S   HC   _H19    67     1.08874   110.64040    -7.32161
   68    66 S   HC   _H20    68     1.09736   107.15038  -123.07805
   69    64 S   CT   _C18    69     1.55300   111.76628  -176.03054
   70    69 S   HC   _H5_    70     1.09715   110.02287    69.99362
   71    69 S   CT   _C19    71     1.53681   113.50066   -53.91809
   72    71 S   HC   _H21    72     1.09535   110.30392    65.34931
   73    71 S   HC   _H22    73     1.09761   109.82762   -52.37550
   74    71 S   CT   _C20    74     1.52788   112.56174  -174.25673
   75    74 S   HC   _H23    75     1.09707   109.34096   -67.10698
   76    74 S   HC   _H24    76     1.09584   109.68132   175.93909
   77    74 S   CT   _C21    77     1.52296   111.56154    54.13179
   78    77 S   HC   _H25    78     1.09711   109.48817    66.94427
   79    77 S   HC   _H26    79     1.09561   109.74231  -175.94914
   80    77 S   CT   _C22    80     1.51686   111.07063   -54.44303
   81    80 S   HC   _H27    81     1.09398   111.50613   173.67901
   82    80 S   HC   _H28    82     1.09492   112.28832   -63.29463
   83    69 S   NP   _N5_    83     1.51182   109.19121  -173.91189
   84    83 S   H    _H29    84     1.03001   109.54528    57.69889
   85    83 S   H    _H30    85     1.02732   110.18990   -58.26539
  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
  14   7   2   1   1  13   9   4   3   8   4  10   3   6   3  13
   5   3  12   6   5   3   2   9   5   4   1   1  11   5   4  14
   7   6   2   1  14   8  12   6   5   9   5   4   8   5   4   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    59    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    54    59    60    39    40    41    44    45    48  
   38    42    59    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    54    55    59    60    39    40    41    44  
   40    41    44    45    48    51    66    42    59  
   41    44    45    48  
   44    45    48  
   43    46    47    49    50    54    59    60  
   46    47    49    59  
   45    48    51    52    53    56    64    66    67    68  
   48    51    66  
   47    49    50    54    55    59  
   49    50    54  
   51    52    53    56    57    58    61    64    65    66    67    68    69  
   50    54    55    59    60  
   54    55    59  
   52    53    56    57    58    61    62    63    64    66    67    68  
   53    56    57    58    61    66  
   56    57    58    61    66  
   55    59    60  
   59    60  
   57    58    61    62    63    64    65    66    69  
   58    61    62    63    64  
   61    62    63    64  
   60  
    0  
   62    63    64    65    66    67    68    69    70    71    83  
   63    64    65    66    69  
   64    65    66    69  
   65    66    67    68    69    70    71    72    73    74    80    83    84    85  
   66    67    68    69    70    71    83  
   67    68    69    70    71    83  
   68    69  
   69  
   70    71    72    73    74    75    76    77    80    81    82    83    84    85  
   71    72    73    74    80    83    84    85  
   72    73    74    75    76    77    78    79    80    83    84    85  
   73    74    75    76    77    83  
   74    75    76    77    83  
   75    76    77    78    79    80    81    82    83  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   84   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   85   0.5000   0.0300   0.310000   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    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    42   469.000  1.400
   38    59   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    51   337.000  1.449
   48    66   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    83   367.000  1.471
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   367.000  1.471
   83    84   434.000  1.010
   83    85   434.000  1.010
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    59    54    63.00000  120.00000
   38    59    60    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    54    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    59    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    59    60    35.00000  120.00000
   59    38    42    63.00000  120.00000
   59    54    55    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    70.00000  116.60000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    51    50.00000  121.90000
   44    48    66    50.00000  121.90000
   48    44    45    80.00000  122.90000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    56    70.00000  110.72300
   48    66    64    70.00000  110.72300
   48    66    67    35.00000  109.50000
   48    66    68    35.00000  109.50000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    64    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    69    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    69    70    37.50000  110.70000
   64    69    71    58.35000  112.70000
   64    69    83    80.00000  111.20000
   66    48    51    50.00000  118.00000
   66    64    65    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    58.35000  112.70000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    74    58.35000  112.70000
   69    83    80    75.00000  113.01200
   69    83    84    35.00000  109.50000
   69    83    85    35.00000  109.50000
   71    69    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    80.00000  111.20000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    69    70    35.00000  109.50000
   83    69    71    80.00000  111.20000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   85    83    84    35.00000  109.50000
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  -0.23050  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   0.01700  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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    59    54   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   1.39750  1.0 1.0
   33    39    44    48  -0.07950 -1.0 2.0
   33    39    44    48  -0.18750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    59    54   3.62500 -1.0 2.0
   42    38    59    60   3.62500 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46   -49    54   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    54    55   3.62500 -1.0 2.0
   46    49    54    59   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    54   3.62500 -1.0 2.0
   49    54   -59    38   3.62500 -1.0 2.0
   49    54    59    60   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    59   3.62500 -1.0 2.0
   55    54    59    38   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   59    38    42    43   3.62500 -1.0 2.0
   59    38   -42    46   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    59   0.04150 -1.0 2.0
   39    44    48    51   1.49850  1.0 1.0
   39    44    48    51   1.53950 -1.0 2.0
   39    44    48    66   1.49850  1.0 1.0
   39    44    48    66   1.53950 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    51    52   0.00000  1.0 1.0
   44    48    51    53   0.00000  1.0 1.0
   44    48    51    56  -0.43950  1.0 1.0
   44    48    51    56  -0.08100 -1.0 2.0
   44    48    51    56   0.03350  1.0 3.0
   44    48    66    64  -0.43950  1.0 1.0
   44    48    66    64  -0.08100 -1.0 2.0
   44    48    66    64   0.03350  1.0 3.0
   44    48    66    67   0.00000  1.0 1.0
   44    48    66    68   0.00000  1.0 1.0
   45    44    48    51   3.04450 -1.0 2.0
   45    44    48    66   3.04450 -1.0 2.0
   48    51    56    57   0.15000  1.0 3.0
   48    51    56    58   0.15000  1.0 3.0
   48    51    56    61   0.43900  1.0 1.0
   48    51    56    61   0.49100 -1.0 2.0
   48    51    56    61   0.28400  1.0 3.0
   51    48    66    64  -0.05900 -1.0 2.0
   51    48    66    67   0.00000  1.0 1.0
   51    48    66    68   0.00000  1.0 1.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56   -61    64   0.56750  1.0 1.0
   51    56   -61    64  -0.07550 -1.0 2.0
   51    56   -61    64   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    61    64    65   0.15000  1.0 3.0
   56    61    64    66   0.56750  1.0 1.0
   56    61    64    66  -0.07550 -1.0 2.0
   56    61    64    66   0.20000  1.0 3.0
   56    61    64    69   0.56750  1.0 1.0
   56    61    64    69  -0.07550 -1.0 2.0
   56    61    64    69   0.20000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    64   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    64   0.15000  1.0 3.0
   61    64   -66    48   0.43900  1.0 1.0
   61    64   -66    48   0.49100 -1.0 2.0
   61    64   -66    48   0.28400  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.15000  1.0 3.0
   61    64    69    70   0.15000  1.0 3.0
   61    64    69    71   0.56750  1.0 1.0
   61    64    69    71  -0.07550 -1.0 2.0
   61    64    69    71   0.20000  1.0 3.0
   61    64    69    83   1.36600  1.0 1.0
   61    64    69    83  -0.11450 -1.0 2.0
   61    64    69    83   0.24250  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    69   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    69   0.15000  1.0 3.0
   64    69    71    72   0.15000  1.0 3.0
   64    69    71    73   0.15000  1.0 3.0
   64    69    71    74   0.56750  1.0 1.0
   64    69    71    74  -0.07550 -1.0 2.0
   64    69    71    74   0.20000  1.0 3.0
   64    69    83    80   0.47100  1.0 1.0
   64    69    83    84   0.17350  1.0 3.0
   64    69    83    85   0.17350  1.0 3.0
   65    64    66    48   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    83   0.19200  1.0 3.0
   66    48    51    52   0.00000  1.0 1.0
   66    48    51    53   0.00000  1.0 1.0
   66    48   -51    56  -0.05900 -1.0 2.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.56750  1.0 1.0
   66    64    69    71  -0.07550 -1.0 2.0
   66    64    69    71   0.20000  1.0 3.0
   66    64    69    83   1.36600  1.0 1.0
   66    64    69    83  -0.11450 -1.0 2.0
   66    64    69    83   0.24250  1.0 3.0
   69    64    66    48   0.43900  1.0 1.0
   69    64    66    48   0.49100 -1.0 2.0
   69    64    66    48   0.28400  1.0 3.0
   69    64    66    67   0.15000  1.0 3.0
   69    64    66    68   0.15000  1.0 3.0
   69    71    74    75   0.15000  1.0 3.0
   69    71    74    76   0.15000  1.0 3.0
   69    71    74    77   0.56750  1.0 1.0
   69    71    74    77  -0.07550 -1.0 2.0
   69    71    74    77   0.20000  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   70    69    83    80   0.15000  1.0 3.0
   70    69    83    84   0.13050  1.0 3.0
   70    69    83    85   0.13050  1.0 3.0
   71    69    83    80   0.47100  1.0 1.0
   71    69    83    84   0.17350  1.0 3.0
   71    69    83    85   0.17350  1.0 3.0
   71    74    77    78   0.15000  1.0 3.0
   71    74    77    79   0.15000  1.0 3.0
   71    74   -77    80   0.56750  1.0 1.0
   71    74   -77    80  -0.07550 -1.0 2.0
   71    74   -77    80   0.20000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    80    81   0.15000  1.0 3.0
   74    77    80    82   0.15000  1.0 3.0
   74    77    80    83   1.36600  1.0 1.0
   74    77    80    83  -0.11450 -1.0 2.0
   74    77    80    83   0.24250  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80   -83    69   0.47100  1.0 1.0
   77    80    83    84   0.17350  1.0 3.0
   77    80    83    85   0.17350  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.19200  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.19200  1.0 3.0
   81    80    83    69   0.15000  1.0 3.0
   81    80    83    84   0.13050  1.0 3.0
   81    80    83    85   0.13050  1.0 3.0
   82    80    83    69   0.15000  1.0 3.0
   82    80    83    84   0.13050  1.0 3.0
   82    80    83    85   0.13050  1.0 3.0
   83    69    71    72   0.19200  1.0 3.0
   83    69    71    73   0.19200  1.0 3.0
   83    69   -71    74   1.36600  1.0 1.0
   83    69   -71    74  -0.11450 -1.0 2.0
   83    69   -71    74   0.24250  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
   42    59    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   54    50    49    46   1.10000 -1.0 2.0
   59    55    54    49   1.10000 -1.0 2.0
   54    60    59    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   66    44    48    51   1.00000 -1.0 2.0
END
