* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    160    246     467
    1     0 S   NP   _N1_     1    29.37672    92.17311   -21.58452
    2     1 S   H    _HN1     2     1.02801    17.00226   150.37928
    3     1 S   H    _H1_     3     1.02805    95.63541   -71.44201
    4     1 S   H    _H2_     4     1.03175   100.88518    37.99951
    5     1 S   CT   _CA1     5     1.50070   127.73553   164.47884
    6     5 S   HC   _HA1     6     1.09580   105.16272    56.75173
    7     5 S   CO3  _C1_     7     1.53914   112.53533   -63.19014
    8     7 S   O2Z  _O11     8     1.26380   115.34657   -44.52732
    9     7 S   O2Z  _O12     9     1.26292   114.80609   134.55212
   10     5 S   CT   _CB1    10     1.52973   107.14937   174.29147
   11    10 S   HC   HB11    11     1.09756   109.12106   -51.76920
   12    10 S   HC   HB12    12     1.09754   110.43716    64.70088
   13    10 S   CT   _CG1    13     1.52925   113.21876  -172.91116
   14    13 S   HC   HG11    14     1.09578   110.35598   -61.46872
   15    13 S   HC   HG12    15     1.09607   110.31033    57.99779
   16    13 S   C    _CD1    16     1.51780   111.61790   178.06761
   17    16 S   O    _OE1    17     1.22729   123.17340   -12.28469
   18    16 S   N    _N2_    18     1.38555   112.05010   168.20943
   19    18 S   H    _HN2    19     1.01585   119.22649     1.48530
   20    18 S   CT1  _CA2    20     1.46088   122.83845  -177.58702
   21    20 S   HC   _HA2    21     1.09604   109.18544   -15.13971
   22    20 S   C    _C2_    22     1.53340   108.70479  -130.49324
   23    22 S   O    _O2_    23     1.23042   122.32867  -148.68095
   24    20 S   CT   _CB2    32     1.53415   111.66208   107.03394
   25    24 S   HC   HB21    33     1.09658   109.51467    61.24896
   26    24 S   HC   HB22    34     1.09563   111.06524   178.63284
   27    22 S   N    _N3_    24     1.38380   113.50134    38.93039
   28    27 S   H    _HN3    25     1.01670   119.47954    -3.67914
   29    24 S   S    _SG2    35     1.82845   114.38551   -58.30937
   30    27 S   CT   _CA3    26     1.45293   122.99485   176.76354
   31    30 S   HC   HA31    27     1.09558   107.53664   -62.93791
   32    30 S   HC   HA32    28     1.09562   107.89504    53.41278
   33    29 S   CT   _C17    36     1.82827    99.85110   -73.14896
   34    33 S   HC   _H18    37     1.09429   107.80843   -59.93248
   35    33 S   HC   _H19    38     1.09334   108.76755    58.90394
   36    30 S   CO3  _C3_    29     1.52907   114.26756   175.39781
   37    36 S   O2Z  _O31    30     1.26344   116.08975    -0.81325
   38    36 S   O2Z  _O32    31     1.26438   114.39373   179.24334
   39    33 S   CT   _C16    39     1.52733   109.90268   179.80820
   40    39 S   HC   _H10    40     1.09844   111.16495    41.66195
   41    39 S   CT   _C15    41     1.52648   114.43613   164.89545
   42    41 S   HC   _H9_    42     1.09382   113.01744   -81.15970
   43    41 S   CT   _C14    43     1.51533   100.38668   157.68732
   44    43 S   HC   _H8_    44     1.09778   109.20854    75.55329
   45    41 S   OH   _O41    87     1.42368   110.96814    40.34192
   46    45 S   HO   _H20    88     0.97280   107.30415   167.74982
   47    43 S   CO   _C13    45     1.52928   102.57260   -39.61950
   48    47 S   HC   _H7_    46     1.09576   110.15770   147.13075
   49    43 S   OH   _O42    85     1.41351   113.50245  -163.33931
   50    49 S   HO   _H21    86     0.97271   107.52847   -63.84777
   51    39 S   OS   _O40    47     1.44700   110.10369   -76.48558
   52    47 S   NE   _N7_    48     1.44995   111.75507   -91.03870
   53    52 S   H    _H17    49     1.01605   116.32503     8.60939
   54    52 S   CDX  _C12    50     1.37154   124.77379  -169.36146
   55    54 S   HC   _H16    51     1.10573   110.16847   174.19063
   56    54 S   NI   _N6_    52     1.29288   127.92934    -4.71866
   57    56 S   C5A  _C6_    53     1.35787   116.03108   178.58750
   58    57 S   C5B  _C5_    54     1.39205   135.58818    55.67570
   59    58 S   N5B  _N4_    55     1.38103   110.68188   179.29584
   60    58 S   C    _C18    80     1.45405   127.82199    -0.08623
   61    60 S   O    _O43    81     1.22676   123.88813    -0.60813
   62    59 S   CRA  _C4_    56     1.31100   105.43566    -0.05234
   63    62 S   HA   _H11    57     1.08177   124.95365   178.00629
   64    60 S   N    _N8_    82     1.37679   113.60534   179.27774
   65    64 S   H    _H22    83     1.01494   121.86166     0.54930
   66    64 S   H    _H23    84     1.01355   120.57289  -179.83687
   67    57 S   N*   _N5_    58     1.38421   120.31021  -127.96367
   68    67 S   CO   _C7_    59     1.45610   125.21141     0.29475
   69    68 S   HC   _H3_    60     1.09622   106.79762    42.86904
   70    68 S   CT   _C8_    61     1.53344   116.04404   -81.24415
   71    70 S   HC   _H4_    62     1.09764   108.01281   142.88170
   72    70 S   CT   _C9_    63     1.51713   103.78715  -101.73963
   73    72 S   HC   _H5_    64     1.09370   112.48010  -155.30022
   74    70 S   OH   _O39    78     1.41055   114.59936    22.45934
   75    74 S   HO   _H15    79     0.97510   108.39237  -172.68026
   76    72 S   CT   _C10    65     1.52365   100.94386   -34.92153
   77    76 S   HC   _H6_    66     1.09770   110.27972   -75.67716
   78    72 S   OH   _O38    76     1.42409   110.89826    84.60560
   79    78 S   HO   _H14    77     0.97046   108.69214   -76.78973
   80    68 S   OS   _O33    67     1.44434   109.40242   158.44297
   81    76 S   CT   _C11    68     1.52109   115.08250   158.92650
   82    81 S   HC   _H12    69     1.09419   110.45701    51.60748
   83    81 S   HC   _H13    70     1.09419   111.17945   -70.33349
   84    81 S   OS   _O34    71     1.42500   108.50585   170.66630
   85    84 S   P3   _P1_    72     1.65037   118.02322   177.63041
   86    85 S   O2Z  _O36    73     1.52483   103.57850   179.25954
   87    85 S   O2Z  _O37    74     1.52536   104.45097    59.48370
   88    85 S   O2Z  _O35    75     1.52545   104.46318   -60.94354
  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   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  11   7   4   1   9   5
   3   1   3   5   3   5   2   7  12  10   7   6   3   6   2   2
   1   1   8  12   6  11   7  12   7   4   1   9   6   3   1   4
   7   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    51    45  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    51    52    49    45    46  
   41    42    43    47    51    45  
   42    43    44    47    48    51    52    49    50    45    46  
   43    44    47    51    49    45    46  
   44    47    48    51    52    53    54    49    50    45    46  
   47    48    51    52    49    50    45  
   46    47    49    51  
    0  
   48    51    52    53    54    55    56    49    50  
   51    52    53    54    49  
   50    51    52  
    0  
   52    53    54  
   53    54    55    56    57  
   54    55    56  
   55    56    57    58    67  
   56    57  
   57    58    59    62    67    68    60  
   58    59    62    63    67    68    69    70    80    60    61    64  
   59    62    63    67    68    60    61    64    65    66  
   62    63    67    68    60    61    64  
   61    64    65    66    62    67  
   64    65    66  
   63    67    68    69    70    80  
   67    68  
   65    66  
   66  
    0  
   68    69    70    71    72    76    80    74  
   69    70    71    72    73    76    77    80    81    78    74    75  
   70    71    72    76    80    74  
   71    72    73    76    77    80    81    78    79    74    75  
   72    73    76    80    78    74    75  
   73    76    77    80    81    82    83    84    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78    80  
    0  
   77    80    81    82    83    84    85    78    79  
   80    81    82    83    84    78  
   79    80    81  
    0  
   81    82    83    84  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.2500   0.1700  -0.507500   1.8650   1.6500   0.051222218  -2.220205820
   53   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.275900   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   56   3.2800   0.1700  -0.389800   1.8540   1.6400   0.005000000   0.000000000
   57   3.5500   0.0700  -0.068200   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.121500   2.0020   1.7750   0.001000000  -0.843144165
   59   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   60   3.7500   0.1050   0.638500   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   62   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   64   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   65   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   66   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   67   3.2500   0.1700   0.122000   1.8000   1.6000   0.001000000  -0.511443539
   68   3.5000   0.0660   0.027000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   86   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   87   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   88   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    51   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   320.000  1.380
   47    52   320.000  1.442
   52    53   434.000  1.010
   52    54   445.000  1.380
   54    55   370.000  1.091
   54    56   650.000  1.285
   56    57   440.000  1.363
   57    58   520.000  1.370
   57    67   427.000  1.381
   58    59   410.000  1.394
   58    60   310.000  1.477
   59    62   488.000  1.335
   62    63   367.000  1.080
   62    67   477.000  1.343
   67    68   275.000  1.479
   68    69   340.000  1.090
   68    70   250.000  1.527
   68    80   320.000  1.380
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   320.000  1.410
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   320.000  1.410
   76    77   340.000  1.090
   76    80   320.000  1.410
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   320.000  1.410
   84    85   230.000  1.630
   85    86   525.000  1.516
   85    87   525.000  1.516
   85    88   525.000  1.516
   78    79   553.000  0.945
   74    75   553.000  0.945
   60    61   570.000  1.229
   60    64   490.000  1.335
   64    65   434.000  1.010
   64    66   434.000  1.010
   49    50   553.000  0.945
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    51    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    51    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    51    90.00000  108.56700
   43    47    52    85.00000  109.98000
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    52    53    50.00000  113.12000
   47    52    54    50.00000  119.50000
   51    39    40    35.00000  109.50000
   51    39    41    50.00000  109.50000
   51    47    48    35.00000  109.50000
   52    47    48    50.00000  108.16000
   52    47    51    95.00000  112.71300
   52    54    55    50.00000  114.66700
   52    54    56    75.00000  124.36500
   54    52    53    35.00000  119.50000
   54    56    57    85.00000  107.58000
   56    54    55    45.00000  121.92500
   56    57    58    65.00000  132.24000
   56    57    67    70.00000  120.54000
   57    58    59    70.00000  111.00000
   57    58    60    60.00000  124.35000
   57    67    62    70.00000  109.80000
   57    67    68    65.00000  127.50000
   58    59    62    70.00000  110.00000
   58    60    61    80.00000  122.33200
   58    60    64    75.00000  113.48100
   59    62    63    35.00000  120.00000
   59    62    67    70.00000  120.00000
   62    67    68    60.00000  127.66100
   67    57    58    70.00000  106.30000
   67    62    63    35.00000  120.00000
   67    68    69    55.00000  103.44000
   67    68    70    75.00000  107.44000
   67    68    80   105.00000  106.22000
   68    70    71    45.00000  108.72000
   68    70    72    75.00000  109.43000
   68    70    74    90.00000  111.58700
   68    80    76    60.00000  109.50000
   70    68    69    45.00000  112.01100
   70    72    73    37.50000  110.70000
   70    72    76    58.35000  112.70000
   70    72    78    50.00000  109.50000
   70    74    75    55.00000  108.50000
   72    70    71    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    50.00000  109.50000
   72    76    81    58.35000  112.70000
   72    78    79    55.00000  108.50000
   76    72    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    50.00000  109.50000
   80    68    69    35.00000  109.50000
   80    68    70    90.00000  108.56700
   80    76    77    35.00000  109.50000
   81    76    77    37.50000  110.70000
   81    76    80    50.00000  109.50000
   81    84    85    80.00000  112.68000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   84    85    86   100.00000  107.00000
   84    85    87   100.00000  107.00000
   84    85    88   100.00000  107.00000
   87    85    86   140.00000  114.00000
   88    85    86   140.00000  114.00000
   88    85    87   140.00000  114.00000
   78    72    73    35.00000  109.50000
   78    72    76    50.00000  109.50000
   74    70    71    35.00000  109.50000
   74    70    72    50.00000  109.50000
   60    58    59    65.00000  122.69000
   60    64    65    35.00000  119.80000
   60    64    66    35.00000  119.80000
   64    60    61    80.00000  122.90000
   66    64    65    35.00000  120.00000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    51   0.56750  1.0 1.0
   29    33    39    51  -0.07550 -1.0 2.0
   29    33    39    51   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    51    47   0.06250  1.0 1.0
   33    39    51    47  -0.01100 -1.0 2.0
   33    39    51    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    51   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    51   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    51    47   0.37050  1.0 3.0
   41    39   -51    47   0.06250  1.0 1.0
   41    39   -51    47  -0.01100 -1.0 2.0
   41    39   -51    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    51   0.62750  1.0 1.0
   41    43   -47    51  -0.30950 -1.0 2.0
   41    43   -47    51   0.27300  1.0 3.0
   41    43    47    52   0.86200  1.0 1.0
   41    43    47    52   0.12850 -1.0 2.0
   41    43    47    52   0.15950  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47   -51    39   0.06250  1.0 1.0
   43    47   -51    39  -0.01100 -1.0 2.0
   43    47   -51    39   0.28050  1.0 3.0
   43    47    52    53   0.00000  1.0 1.0
   43    47    52    54   0.38950  1.0 1.0
   43    47    52    54  -0.47050 -1.0 2.0
   43    47    52    54   0.83150  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.23400  1.0 3.0
   44    43    47    52   0.22950  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    52    54    55   0.00000  1.0 1.0
   47    52    54    56  -0.86000  1.0 1.0
   47    52    54    56   0.84650 -1.0 2.0
   48    47    51    39   0.37050  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   51    39    41    42   0.23400  1.0 3.0
   51    39   -41    43   0.62750  1.0 1.0
   51    39   -41    43  -0.30950 -1.0 2.0
   51    39   -41    43   0.27300  1.0 3.0
   51    39    41    45   3.69350  1.0 1.0
   51    39    41    45  -1.82950 -1.0 2.0
   51    47    52    53  -1.49000  1.0 1.0
   51    47    52    53  -2.58450 -1.0 2.0
   51    47    52    54   0.75000  1.0 1.0
   51    47    52    54  -0.75000 -1.0 2.0
   52    47    51    39  -0.25000  1.0 1.0
   52    47    51    39  -0.75000 -1.0 2.0
   52    47    51    39   0.50000  1.0 3.0
   52    54    56    57   6.00000 -1.0 2.0
   53    52    54    55   1.00000 -1.0 2.0
   53    52    54    56   1.50000 -1.0 2.0
   54    56    57    58   1.25000 -1.0 2.0
   54    56    57    67   1.25000 -1.0 2.0
   55    54    56    57   4.00000 -1.0 2.0
   56    57    58    59   3.62500 -1.0 2.0
   56    57    58    60   3.62500 -1.0 2.0
   56    57    67    62   3.62500 -1.0 2.0
   56    57    67    68   3.62500 -1.0 2.0
   57    58   -59    62   2.40000 -1.0 2.0
   57    58    60    61   1.05000 -1.0 2.0
   57    58    60    64   0.75700  1.0 1.0
   57    58    60    64   0.34650 -1.0 2.0
   57    58    60    64   0.33000  1.0 3.0
   57    58    60    64  -0.28100 -1.0 4.0
   57    67    68    69   0.00000  1.0 1.0
   57    67    68    70   1.10250  1.0 1.0
   57    67    68    70   0.01650 -1.0 2.0
   57    67    68    70   0.39100  1.0 3.0
   57    67    68    80   0.10350  1.0 1.0
   57    67    68    80  -0.15350 -1.0 2.0
   58    57   -67    62   1.40000 -1.0 2.0
   58    57    67    68   0.81400  1.0 1.0
   58    57    67    68   1.55550 -1.0 2.0
   58    59    62    63   5.00000 -1.0 2.0
   58    59   -62    67   5.00000 -1.0 2.0
   58    60    64    65   2.56700 -1.0 2.0
   58    60    64    66   2.56700 -1.0 2.0
   59    58    60    61   1.05000 -1.0 2.0
   59    58    60    64   1.61600  1.0 1.0
   59    58    60    64  -0.04750 -1.0 2.0
   59    58    60    64   0.11700  1.0 3.0
   59    62   -67    57   2.32500 -1.0 2.0
   59    62    67    68   3.62500 -1.0 2.0
   62    67    68    69   0.00000  1.0 1.0
   62    67    68    70   1.10250  1.0 1.0
   62    67    68    70   0.01650 -1.0 2.0
   62    67    68    70   0.39100  1.0 3.0
   62    67    68    80   0.10350  1.0 1.0
   62    67    68    80  -0.15350 -1.0 2.0
   63    62    67    57   2.32500 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   67    57   -58    59   5.37500 -1.0 2.0
   67    57    58    60   3.62500 -1.0 2.0
   67    68    70    71   0.15000  1.0 3.0
   67    68    70    72  -0.64600  1.0 1.0
   67    68    70    72   0.58400 -1.0 2.0
   67    68    70    74   2.76900  1.0 1.0
   67    68    70    74  -0.24350 -1.0 2.0
   67    68    70    74  -0.78250  1.0 3.0
   67    68    80    76  -2.37750  1.0 1.0
   67    68    80    76  -0.08150 -1.0 2.0
   67    68    80    76   0.59000  1.0 3.0
   68    70    72    73   0.15000  1.0 3.0
   68    70   -72    76   3.97050  1.0 1.0
   68    70    72    78   0.86500  1.0 1.0
   68    70    72    78  -0.17500 -1.0 2.0
   68    70    72    78   0.20800  1.0 3.0
   68    70    74    75  -0.11600  1.0 1.0
   68    70    74    75  -0.09450 -1.0 2.0
   68    70    74    75   0.21250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    74   0.23400  1.0 3.0
   69    68    80    76   0.37050  1.0 3.0
   70    68   -80    76   0.06250  1.0 1.0
   70    68   -80    76  -0.01100 -1.0 2.0
   70    68   -80    76   0.28050  1.0 3.0
   70    72    76    77   0.15000  1.0 3.0
   70    72   -76    80   0.62750  1.0 1.0
   70    72   -76    80  -0.30950 -1.0 2.0
   70    72   -76    80   0.27300  1.0 3.0
   70    72    76    81   0.56750  1.0 1.0
   70    72    76    81  -0.07550 -1.0 2.0
   70    72    76    81   0.20000  1.0 3.0
   70    72    78    79  -0.11600  1.0 1.0
   70    72    78    79  -0.09450 -1.0 2.0
   70    72    78    79   0.21250  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    76   0.15000  1.0 3.0
   71    70    72    78   0.23400  1.0 3.0
   71    70    74    75   0.19450  1.0 3.0
   72    70    74    75  -0.11600  1.0 1.0
   72    70    74    75  -0.09450 -1.0 2.0
   72    70    74    75   0.21250  1.0 3.0
   72    76   -80    68   0.06250  1.0 1.0
   72    76   -80    68  -0.01100 -1.0 2.0
   72    76   -80    68   0.28050  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84   0.62750  1.0 1.0
   72    76    81    84  -0.30950 -1.0 2.0
   72    76    81    84   0.27300  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.23400  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79  -0.11600  1.0 1.0
   76    72    78    79  -0.09450 -1.0 2.0
   76    72    78    79   0.21250  1.0 3.0
   76    81    84    85  -2.65550  1.0 1.0
   76    81    84    85  -0.22350 -1.0 2.0
   76    81    84    85   0.24150  1.0 3.0
   77    76    80    68   0.37050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.23400  1.0 3.0
   80    68    70    71   0.23400  1.0 3.0
   80    68   -70    72   0.62750  1.0 1.0
   80    68   -70    72  -0.30950 -1.0 2.0
   80    68   -70    72   0.27300  1.0 3.0
   80    68    70    74   3.69350  1.0 1.0
   80    68    70    74  -1.82950 -1.0 2.0
   80    76    81    82   0.23400  1.0 3.0
   80    76    81    83   0.23400  1.0 3.0
   80    76    81    84   1.11900  1.0 1.0
   80    76    81    84  -1.16350 -1.0 2.0
   80    76    81    84  -0.34150  1.0 3.0
   81    76    80    68   0.06250  1.0 1.0
   81    76    80    68  -0.01100 -1.0 2.0
   81    76    80    68   0.28050  1.0 3.0
   81    84    85    86   0.00000  1.0 1.0
   81    84    85    87   0.00000  1.0 1.0
   81    84    85    88   0.00000  1.0 1.0
   82    81    84    85   0.03000  1.0 3.0
   83    81    84    85   0.03000  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   3.69350  1.0 1.0
   78    72    76    80  -1.82950 -1.0 2.0
   78    72    76    81   0.86500  1.0 1.0
   78    72    76    81  -0.17500 -1.0 2.0
   78    72    76    81   0.20800  1.0 3.0
   74    70    72    73   0.23400  1.0 3.0
   74    70    72    76   0.86500  1.0 1.0
   74    70    72    76  -0.17500 -1.0 2.0
   74    70    72    76   0.20800  1.0 3.0
   74    70    72    78   3.75450  1.0 1.0
   60    58    59    62   3.62500 -1.0 2.0
   61    60    64    65   2.45000 -1.0 2.0
   61    60    64    66   2.45000 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   3.69350  1.0 1.0
   49    43    47    51  -1.82950 -1.0 2.0
   49    43    47    52   4.07950  1.0 1.0
   49    43    47    52  -0.26450 -1.0 2.0
   49    43    47    52  -0.12150  1.0 3.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   53    54    52    47   1.00000 -1.0 2.0
   52    55    54    56  10.50000 -1.0 2.0
   58    67    57    56   4.00000 -1.0 2.0
   60    59    58    57   4.00000 -1.0 2.0
   67    63    62    59   1.10000 -1.0 2.0
   62    68    67    57   4.00000 -1.0 2.0
   58    64    60    61  10.50000 -1.0 2.0
   66    60    64    65   1.00000 -1.0 2.0
END
