* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    148    217     415
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02078   106.63942   -15.36415
    3     1 S   H    _H1_     3     1.02093    56.69633    86.45314
    4     1 S   H    _H2_     4     1.02081    55.41457  -116.91216
    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     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   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     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   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   _C12    36     1.86552    96.81719   161.87495
   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   _C6_    37     1.54791   107.05548   159.99607
   38    33 S   CT   _C18    70     1.54321   106.95244    39.41127
   39    38 S   HC   _H45    71     1.08562   108.98138    37.17326
   40    38 S   HC   _H46    72     1.08504   108.97635   -82.14952
   41    37 S   N4   _N21    38     1.36509   118.19119   104.04929
   42    37 S   CMA  _C8_    66     1.34730   122.28720   -72.03595
   43    42 S   OM   _O23    67     1.26275   126.10707     0.17017
   44    38 S   S    _S30    73     1.80443   109.75325   157.53280
   45    41 S   C4   _C7_    39     1.35574   137.69178  -162.24934
   46    45 S   O    _O24    40     1.20818   134.32621    -3.68892
   47    41 S   C4T  _C11    42     1.45154   125.75584    22.90433
   48    47 S   HC   _H34    43     1.09776   112.25720    73.31099
   49    42 S   OH   _O26    68     1.40639   111.58102  -179.77272
   50    49 S   HO   _H48    69     0.97304   105.32989   179.96574
   51    44 S   CRA  _C5_    74     1.76912   100.18688  -179.96574
   52    45 S   C4T  _C13    41     1.55314    89.63301   172.60723
   53    47 S   S    _S29    44     1.80386   110.22153   -54.92446
   54    51 S   N5B  _N17    75     1.31281   127.62193    -0.04846
   55    33 S   CT   _C10    45     1.55645   106.33458   -74.62357
   56    55 S   HC   _H32    46     1.09748   111.79242    45.29279
   57    55 S   HC   _H33    47     1.09780   109.77506   162.40545
   58    52 S   N    _N22    48     1.46871   112.27868  -101.37948
   59    58 S   H    _H47    49     1.00514   116.18035   121.24214
   60    52 S   OS   _O27    61     1.44164   111.90447   129.51799
   61    54 S   N5B  _N18    76     1.37679   105.61797  -179.91607
   62    58 S   C    _C9_    50     1.37273   122.33147   -59.96609
   63    62 S   O    _O25    51     1.22989   126.16598    -0.02798
   64    60 S   CT   _C15    62     1.41382   110.77279  -160.01354
   65    64 S   HC   _H38    63     1.09235   109.54788  -180.00000
   66    64 S   HC   _H39    64     1.09319   109.56103    59.17532
   67    64 S   HC   _H40    65     1.09263   108.97990   -60.38892
   68    61 S   N5A  _N19    77     1.32721   111.05544    -0.03426
   69    62 S   CT   _C17    52     1.51065   112.13100  -179.26698
   70    69 S   HC   _H43    53     1.09383   111.68220   119.95310
   71    69 S   HC   _H44    54     1.09391   108.78010     0.80284
   72    51 S   NA   _N20    78     1.35856   123.80369  -179.97202
   73    69 S   S    _S31    55     1.80818   108.94114  -119.03991
   74    72 S   CT   _C14    79     1.44096   129.93457    -0.09891
   75    74 S   HC   _H35    80     1.09351   107.92831    90.00436
   76    74 S   HC   _H36    81     1.09307   109.46087  -149.72945
   77    74 S   HC   _H37    82     1.09383   109.25560   -30.17787
   78    73 S   CT   _C16    56     1.80777    98.58371    60.00906
   79    78 S   HC   _H41    57     1.09451   108.34938   -78.08439
   80    78 S   HC   _H42    58     1.09455   108.23874    38.31591
   81    78 S   CZ   _C4_    59     1.46401   112.02392   159.98110
   82    81 S   NZ   _N16    60     1.16070   179.74359   177.35129
  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  12   5   4   3
  16   2   1   1  18  12   4   3  12   6   2   7  10   4  11   5
   1   1   8  12   5   4   2   1   1   9   4   5   3   6   4   3
   2   1   1   5   7   3   2   4   5   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    55    56    57    42    38    39    40    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    45    47    53    55    56    57    42    43    49    38    39    40    44    51  
   35    36  
   36  
    0  
   41    45    46    52    47    48    53    55    56    57    42    43    49    50    38    39    40    44  
   39    40    44    51    54    72    41    42    53    55    56    57  
   40    44    51    55  
   44    51    55  
   45    46    52    47    48    53    55    58    60    42    43    49  
   43    49    50    45    47    55  
   49    50  
   51    54    61    68    72    74    55  
   46    52    47    48    53    58    59    62    60    64  
   52    47    58    60  
   48    53    55    56    57    58    59    62    60    64    52  
   53    55    58    60    52  
   50  
    0  
   54    61    68    72    74    75    76    77  
   53    55    58    59    62    63    69    60    64    65    66    67  
   55    56    57    58    60  
   61    68    72    74  
   56    57  
   57  
    0  
   59    62    63    69    70    71    73    60    64  
   62    63    69    60  
   64    65    66    67    62  
   68    72    74  
   63    69    70    71    73    78  
   69    70    71    73  
   65    66    67  
   66    67  
   67  
    0  
   72    74    75    76    77  
   70    71    73    78    79    80    81  
   71    73    78  
   73    78  
   74    75    76    77  
   78    79    80    81    82  
   75    76    77  
   76    77  
   77  
    0  
   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   0.167500   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  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   55   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   69   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   73   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   74   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.3000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.3000   0.0660   0.460000   2.0580   1.8250   0.025318638  -1.264311570
   82   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
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    55   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    45   440.000  1.369
   41    47   305.000  1.456
   45    46   930.000  1.212
   45    52   250.000  1.540
   52    47   268.000  1.529
   52    58   337.000  1.449
   52    60   320.000  1.410
   47    48   340.000  1.090
   47    53   200.000  1.824
   53    55   222.000  1.810
   55    56   340.000  1.090
   55    57   340.000  1.090
   58    59   434.000  1.010
   58    62   490.000  1.335
   62    63   570.000  1.229
   62    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   222.000  1.810
   73    78   222.000  1.810
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   390.000  1.470
   81    82   650.000  1.157
   60    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   42    43   745.000  1.250
   42    49   510.000  1.338
   49    50   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   222.000  1.810
   44    51   245.000  1.755
   51    54   488.000  1.335
   51    72   477.000  1.343
   54    61   290.000  1.379
   61    68   420.000  1.291
   68    72   400.000  1.349
   72    74   320.000  1.443
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    55    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    55    53    75.00000  111.63000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    75.00000  111.63000
   37    41    45    50.00000  132.10000
   37    41    47    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    49    80.00000  121.38400
   41    45    46    75.00000  131.60000
   41    45    52    95.00000   92.72400
   41    47    52   105.00000   87.49700
   41    47    48    50.00000  112.01000
   41    47    53    80.00000  108.62000
   45    52    47   100.00000   86.36000
   45    52    58    75.00000  110.24000
   45    52    60    90.00000  108.55600
   52    45    46    60.00000  136.58000
   52    47    48    37.50000  110.70000
   52    47    53    65.00000  119.05700
   52    58    59    38.00000  118.40000
   52    58    62    50.00000  121.90000
   52    60    64    60.00000  109.50000
   47    41    45   100.00000   93.00000
   47    53    55    85.00000   99.86700
   53    47    48    45.00000  109.41400
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   55    33    37    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    52    47    80.00000  110.05700
   58    62    63    80.00000  122.90000
   58    62    69    70.00000  116.60000
   62    58    59    35.00000  119.80000
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    73    70.00000  112.33000
   69    62    63    80.00000  120.40000
   69    73    78    62.00000   98.90000
   71    69    70    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    71    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    75.00000  110.06000
   78    81    82   150.00000  180.00000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  108.50000
   81    78    80    35.00000  108.50000
   60    52    47    50.00000  109.50000
   60    52    58    95.00000  111.00000
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   42    37    41    75.00000  120.83300
   42    49    50    70.00000  107.45700
   49    42    43   115.00000  116.36000
   38    33    37    70.00000  112.02700
   38    33    55    58.35000  112.70000
   38    44    51    85.00000   97.05500
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    51    54    70.00000  126.12900
   44    51    72    70.00000  123.45500
   51    54    61   100.00000  108.10500
   51    72    68    95.00000  110.06400
   51    72    74    60.00000  127.66100
   54    61    68   100.00000  111.97400
   61    68    72   110.00000  106.81600
   68    72    74    75.00000  118.68000
   72    51    54    70.00000  120.00000
   72    74    75    50.00000  108.61900
   72    74    76    50.00000  108.61900
   72    74    77    50.00000  108.61900
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   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    55    53   0.56750  1.0 1.0
   29    33    55    53  -0.07550 -1.0 2.0
   29    33    55    53   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   33    37    41    45   0.00000  1.0 1.0
   33    37    41    47   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    49   7.00000 -1.0 2.0
   33    38    44    51  -0.35400  1.0 1.0
   33    38    44    51  -0.24450 -1.0 2.0
   33    38    44    51   0.44000  1.0 3.0
   37    33    55    53   0.56750  1.0 1.0
   37    33    55    53  -0.07550 -1.0 2.0
   37    33    55    53   0.20000  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    44   0.56750  1.0 1.0
   37    33    38    44  -0.07550 -1.0 2.0
   37    33    38    44   0.20000  1.0 3.0
   37    41    45    46   3.00000 -1.0 2.0
   37    41    45    52   3.00000 -1.0 2.0
   37    41   -47    52   0.00000  1.0 1.0
   37    41    47    48   0.00000  1.0 1.0
   37    41   -47    53   0.00000  1.0 1.0
   37    42    49    50  -0.66100  1.0 1.0
   37    42    49    50   1.20850 -1.0 2.0
   37    42    49    50  -0.36000  1.0 3.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    49   7.00000 -1.0 2.0
   41    45   -52    47   3.00000 -1.0 2.0
   41    45    52    58   0.00000  1.0 1.0
   41    45    52    60   0.00000  1.0 1.0
   41    47    53    55   0.01700  1.0 1.0
   41    47    53    55  -0.23550 -1.0 2.0
   41    47    53    55   0.21350  1.0 3.0
   45    41   -47    52   0.00000  1.0 1.0
   45    41    47    48   0.00000  1.0 1.0
   45    41    47    53   0.00000  1.0 1.0
   45    52   -47    41   3.00000 -1.0 2.0
   45    52   -47    48   0.15000  1.0 3.0
   45    52   -47    53   0.00000  1.0 1.0
   45    52    58    59   0.00000  1.0 1.0
   45    52    58    62  -0.42300  1.0 1.0
   45    52    58    62  -0.07000 -1.0 2.0
   45    52    58    62   0.04150  1.0 3.0
   45    52    60    64  -1.11000  1.0 1.0
   45    52    60    64   0.50250 -1.0 2.0
   45    52    60    64   0.47450  1.0 3.0
   46    45    52    47  -0.11250  1.0 1.0
   46    45    52    47   0.11400 -1.0 2.0
   46    45    52    47  -0.28950  1.0 3.0
   46    45    52    58   0.30150 -1.0 2.0
   46    45    52    60   0.30150 -1.0 2.0
   52    47    53    55   0.25150  1.0 1.0
   52    47    53    55  -1.17200 -1.0 2.0
   52    47    53    55   0.53050  1.0 3.0
   52    58    62    63   3.04450 -1.0 2.0
   52    58    62    69   1.49850  1.0 1.0
   52    58    62    69   1.53950 -1.0 2.0
   52    60    64    65   0.37050  1.0 3.0
   52    60    64    66   0.37050  1.0 3.0
   52    60    64    67   0.37050  1.0 3.0
   47    41   -45    46   3.00000 -1.0 2.0
   47    41   -45    52   3.00000 -1.0 2.0
   47    52    58    59   0.00000  1.0 1.0
   47    52    58    62  -0.43950  1.0 1.0
   47    52    58    62  -0.08100 -1.0 2.0
   47    52    58    62   0.03350  1.0 3.0
   47    52    60    64   0.06250  1.0 1.0
   47    52    60    64  -0.01100 -1.0 2.0
   47    52    60    64   0.28050  1.0 3.0
   47    53   -55    33  -0.25000 -1.0 2.0
   47    53   -55    33  -0.01800  1.0 3.0
   47    53    55    56   0.32350  1.0 3.0
   47    53    55    57   0.32350  1.0 3.0
   48    47    53    55   0.00000  1.0 1.0
   55    33   -37    41  -0.93550  1.0 1.0
   55    33   -37    41   0.38900 -1.0 2.0
   55    33   -37    41   0.16950  1.0 3.0
   55    33    37    42   0.09850  1.0 1.0
   55    33    37    42   0.15250 -1.0 2.0
   55    33    37    42  -0.50650  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33    38    40   0.15000  1.0 3.0
   55    33    38    44   0.44750  1.0 1.0
   55    33    38    44  -0.17800 -1.0 2.0
   55    33    38    44   0.20200  1.0 3.0
   58    52   -47    41   2.20050  1.0 1.0
   58    52   -47    41   0.63450 -1.0 2.0
   58    52   -47    41  -0.91300  1.0 3.0
   58    52    47    48   0.15000  1.0 3.0
   58    52    47    53   0.00000  1.0 1.0
   58    52    60    64  -2.37750  1.0 1.0
   58    52    60    64  -0.08150 -1.0 2.0
   58    52    60    64   0.59000  1.0 3.0
   58    62    69    70   0.00000  1.0 1.0
   58    62    69    71   0.00000  1.0 1.0
   58    62    69    73   0.00000  1.0 1.0
   59    58    62    63   2.45000 -1.0 2.0
   59    58    62    69   2.45000 -1.0 2.0
   62    69    73    78   0.01700  1.0 1.0
   62    69    73    78  -0.23550 -1.0 2.0
   62    69    73    78   0.21350  1.0 3.0
   63    62    69    70   0.00000  1.0 1.0
   63    62    69    71   0.00000  1.0 1.0
   63    62    69    73   0.30150 -1.0 2.0
   69    73    78    79   0.32350  1.0 3.0
   69    73    78    80   0.32350  1.0 3.0
   69    73    78    81   0.01700  1.0 1.0
   69    73    78    81  -0.23550 -1.0 2.0
   69    73    78    81   0.21350  1.0 3.0
   70    69    73    78   0.32350  1.0 3.0
   71    69    73    78   0.32350  1.0 3.0
   73    78    81    82   0.00000  1.0 1.0
   79    78    81    82   0.00000  1.0 1.0
   80    78    81    82   0.00000  1.0 1.0
   60    52   -47    41   1.12100  1.0 1.0
   60    52   -47    41  -0.16500 -1.0 2.0
   60    52    47    48   0.15000  1.0 3.0
   60    52    47    53   0.00000  1.0 1.0
   60    52    58    59   0.00000  1.0 1.0
   60    52    58    62  -2.75650  1.0 1.0
   60    52    58    62  -1.18150 -1.0 2.0
   60    52    58    62   0.81900  1.0 3.0
   42    37    41    45   0.00000  1.0 1.0
   42    37    41    47   0.00000  1.0 1.0
   43    42    49    50   2.00000 -1.0 2.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    55    53   0.44750  1.0 1.0
   38    33    55    53  -0.17800 -1.0 2.0
   38    33    55    53   0.20200  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   38    44    51    54   0.63150 -1.0 2.0
   38    44    51    72   0.63150 -1.0 2.0
   39    38    44    51   0.24000  1.0 3.0
   40    38    44    51   0.24000  1.0 3.0
   44    51    54    61   3.62500 -1.0 2.0
   44    51    72    68   3.62500 -1.0 2.0
   44    51    72    74   3.62500 -1.0 2.0
   51    54   -61    68   3.62500 -1.0 2.0
   51    72    74    75   0.00000  1.0 1.0
   51    72    74    76   0.00000  1.0 1.0
   51    72    74    77   0.00000  1.0 1.0
   54    51   -72    68   3.62500 -1.0 2.0
   54    51    72    74   3.62500 -1.0 2.0
   54    61   -68    72   3.62500 -1.0 2.0
   61    68   -72    51   3.62500 -1.0 2.0
   61    68    72    74   3.62500 -1.0 2.0
   68    72    74    75   0.00000  1.0 1.0
   68    72    74    76   0.00000  1.0 1.0
   68    72    74    77   0.00000  1.0 1.0
   72    51   -54    61   3.62500 -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    41    37    42   1.10000 -1.0 2.0
   47    45    41    37   1.00000 -1.0 2.0
   41    52    45    46  10.50000 -1.0 2.0
   59    62    58    52   1.00000 -1.0 2.0
   58    69    62    63  10.50000 -1.0 2.0
   43    49    42    37   1.10000 -1.0 2.0
   54    72    51    44   4.00000 -1.0 2.0
   68    74    72    51   4.00000 -1.0 2.0
END
