* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    152    227     435
    1     0 S   NP   _N1_     1    28.89411    94.34362   -25.56615
    2     1 S   H    _HN1     2     1.02787   117.64268   -85.31974
    3     1 S   H    _H1_     3     1.02950    77.89976    19.24844
    4     1 S   H    _H2_     4     1.02830    29.18771  -162.20591
    5     1 S   CT   _CA1     5     1.50111   123.37435   125.85954
    6     5 S   HC   _HA1     6     1.09573   105.20003    88.97972
    7     5 S   CO3  _C1_     7     1.53789   112.44375   -31.28128
    8     7 S   O2Z  _O11     8     1.26375   115.00352   -42.91378
    9     7 S   O2Z  _O12     9     1.26237   114.94194   136.22072
   10     5 S   CT   _CB1    10     1.53079   107.42748  -153.01519
   11    10 S   HC   HB11    11     1.09835   109.39827   -49.55368
   12    10 S   HC   HB12    12     1.09814   110.44014    67.05704
   13    10 S   CT   _CG1    13     1.52998   112.60204  -170.51931
   14    13 S   HC   HG11    14     1.09581   110.64634   -65.35681
   15    13 S   HC   HG12    15     1.09668   109.78468    53.88503
   16    13 S   C    _CD1    16     1.51796   112.18756   174.37315
   17    16 S   O    _OE1    17     1.22742   123.26509     7.54379
   18    16 S   N    _N2_    18     1.38661   111.70379  -172.65896
   19    18 S   H    _HN2    19     1.01583   118.98917     1.60681
   20    18 S   CT1  _CA2    20     1.46173   123.30784   177.74658
   21    20 S   HC   _HA2    21     1.09745   109.32184     1.83056
   22    20 S   C    _C2_    22     1.53517   108.68044  -113.64706
   23    22 S   O    _O2_    23     1.23057   122.27194  -148.18816
   24    20 S   CT   _CB2    32     1.53322   111.68832   123.74489
   25    24 S   HC   HB21    33     1.09499   110.16870    57.63349
   26    24 S   HC   HB22    34     1.09521   109.92570   176.63547
   27    22 S   N    _N3_    24     1.38323   113.68725    39.27459
   28    27 S   H    _HN3    25     1.01590   119.57601    -3.39609
   29    24 S   S    _SG2    35     1.82717   111.40396   -63.69716
   30    27 S   CT   _CA3    26     1.45287   123.22308   177.08765
   31    30 S   HC   HA31    27     1.09549   107.52143   -64.34789
   32    30 S   HC   HA32    28     1.09557   107.97435    52.09048
   33    29 S   CT   _C19    36     1.86488    99.68218  -175.66487
   34    33 S   HC   _H3_    37     1.09710   106.18721    31.99907
   35    30 S   CO3  _C3_    29     1.52960   114.07083   174.08971
   36    35 S   O2Z  _O31    30     1.26377   116.06242    -0.36423
   37    35 S   O2Z  _O32    31     1.26426   114.41615   179.69036
   38    33 S   CT   _C18    38     1.54853   108.13415   -83.01292
   39    38 S   HC   _H38    39     1.09834   108.58981    44.02377
   40    38 S   CO4  _C12    40     1.51786   109.74739   -72.56268
   41    40 S   O    _O22    41     1.23045   121.79064   148.83159
   42    38 S   CT   _C24    77     1.54176   113.57934   164.08501
   43    42 S   HC   _H49    78     1.09618   110.84373    76.29600
   44    42 S   HC   _H50    79     1.09672   109.73600   -41.95259
   45    40 S   CM   _C10    42     1.48218   118.95206   -33.89537
   46    45 S   HC   _H31    43     1.08364   114.49971  -172.02265
   47    42 S   CM   _C15    80     1.50478   112.27499  -161.14676
   48    47 S   HC   _H35    81     1.08721   117.26564    61.84971
   49    45 S   CM   _C11    44     1.34572   122.53565     5.79833
   50    47 S   CM   _C13    82     1.33792   124.06216  -118.79529
   51    50 S   HC   _H32    83     1.08470   120.47567  -179.75134
   52    50 S   HC   _H33    84     1.08450   121.61669     0.46225
   53    33 S   CT   _C20    45     1.58017   113.18471   150.54295
   54    49 S   OS   _O25    72     1.38869   123.68247  -175.77437
   55    53 S   CM   _C16    46     1.56444   108.98796   -49.87536
   56    53 S   OS   _O26    67     1.45536   104.41869  -164.68820
   57    54 S   CT   _C22    73     1.42200   118.74306    -0.70776
   58    57 S   HC   _H43    74     1.09404   107.82250  -179.91607
   59    57 S   HC   _H44    75     1.09468   110.98836    62.17231
   60    57 S   HC   _H45    76     1.09471   110.97848   -62.01667
   61    55 S   CM   _C14    47     1.35239   122.97688   101.81189
   62    61 S   HC   _H34    48     1.08678   120.85755    -1.80851
   63    55 S   CT   _C21    63     1.51770   115.34927   -75.31713
   64    63 S   HC   _H40    64     1.09395   110.61977   -76.17938
   65    63 S   HC   _H41    65     1.09368   113.18618   162.99433
   66    63 S   HC   _H42    66     1.09401   110.96786    44.10544
   67    56 S   CT   _C23    68     1.42182   117.91202  -170.91481
   68    67 S   HC   _H46    69     1.09378   107.77363  -166.06952
   69    67 S   HC   _H47    70     1.09351   110.44645    76.78102
   70    67 S   HC   _H48    71     1.09322   112.23148   -47.04929
   71    61 S   CA   _C7_    49     1.46699   126.11711  -179.90513
   72    71 S   CA   _C4_    50     1.41152   119.23822   110.20322
   73    72 S   HA   _H28    51     1.08827   120.25015    -0.65700
   74    72 S   CA   _C5_    52     1.39782   120.72851   179.59555
   75    74 S   HA   _H29    53     1.08408   120.86170   179.77883
   76    74 S   CA   _C8_    54     1.37897   117.72543    -0.25411
   77    76 S   CA   _C9_    55     1.37557   121.77787    -0.08393
   78    71 S   CA   _C6_    56     1.40252   120.61921   -70.80261
   79    78 S   HA   _H30    57     1.08514   121.53216     0.45327
   80    77 S   OS   _O24    58     1.36098   112.33679  -179.86152
   81    80 S   CO   _C17    59     1.44220   100.97615    -0.07402
   82    81 S   HC   _H36    60     1.09610   108.66789  -120.84659
   83    81 S   HC   _H37    61     1.09608   108.66750   121.00801
   84    76 S   OS   _O23    62     1.36079   125.87181  -179.97202
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  15   8  10   4   9   4   3   7   3   4   3
  11   2   1   1  15   6  11   6   3   2   1   1  12   4   4   2
   1   1   3   2   1   1   9   8   4   7   3   8   7   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    53    55    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    49    53    55    61    63    56    67    54    42    43    44    47  
   38    39    40    49    53    55    56    42  
   36    37  
   37  
    0  
   39    40    41    45    46    49    53    55    56    42    43    44    47    48    50  
   40    41    45    53    42    43    44    47  
   41    45    46    49    53    54    42    43    44    47  
   45    46    49    42  
   43    44    47    48    50    51    52    45    53  
   44    47    48    50  
   47    48    50  
   46    49    53    55    56    54    57  
   49    53    54  
   48    50    51    52  
   50    51    52  
   53    55    61    63    56    67    54    57    58    59    60  
   51    52  
   52  
    0  
   55    61    62    71    63    64    65    66    56    67    68    69    70    54    57  
   57    58    59    60    55    56  
   61    62    71    72    78    63    64    65    66    56    67  
   67    68    69    70    61    63  
   58    59    60  
   59    60  
   60  
    0  
   62    71    72    73    74    77    78    79    63    64    65    66  
   71    72    78    63  
   64    65    66    71  
   65    66  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77    78    79    84  
   74    75    76    78  
   75    76    77    78    80    81    84  
   76    77    84  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81    84  
   80  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.338000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    53   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    45   320.000  1.462
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    53   317.000  1.510
   49    54   440.000  1.360
   53    55   317.000  1.510
   53    56   320.000  1.410
   55    61   549.000  1.340
   55    63   317.000  1.510
   61    62   340.000  1.080
   61    71   320.000  1.460
   71    72   469.000  1.400
   71    78   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    84   450.000  1.364
   77    78   469.000  1.400
   77    80   450.000  1.364
   78    79   367.000  1.080
   80    81   320.000  1.380
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   320.000  1.380
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   56    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   317.000  1.510
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   340.000  1.080
   50    52   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    53    49    70.00000  112.02700
   33    53    55    70.00000  112.02700
   33    53    56    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    45    65.00000  118.62400
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    47    70.00000  112.02700
   40    38    39    35.00000  109.50000
   40    45    46    40.00000  117.72500
   40    45    49    65.00000  118.96000
   45    40    41    80.00000  123.72100
   45    49    53    70.00000  124.00000
   45    49    54    80.00000  120.01400
   49    45    46    35.00000  120.00000
   49    53    55    70.00000  110.12100
   49    53    56    85.00000  110.90400
   49    54    57    90.00000  111.18400
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    55    61    70.00000  124.00000
   53    55    63    65.00000  117.92700
   53    56    67    60.00000  109.50000
   55    61    62    35.00000  120.00000
   55    61    71    60.00000  123.20500
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    66    35.00000  109.50000
   61    71    72    60.00000  120.93500
   61    71    78    60.00000  120.93500
   71    61    62    40.00000  117.26300
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    78    77    63.00000  120.00000
   71    78    79    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    84    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    63.00000  120.00000
   76    77    80    70.00000  120.00000
   76    84    81   100.00000  112.36700
   77    78    79    35.00000  120.00000
   77    80    81   100.00000  112.36700
   78    71    72    63.00000  120.00000
   80    77    78    70.00000  120.00000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    92.60000  111.55000
   83    81    82    33.00000  109.50000
   84    76    77    70.00000  120.00000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   63    55    61    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   56    53    55    85.00000  110.90400
   56    67    68    35.00000  109.50000
   56    67    69    35.00000  109.50000
   56    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    49    53    85.00000  112.85300
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    47    48    35.00000  117.00000
   42    47    50    70.00000  124.00000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    52    35.00000  120.00000
   50    47    48    35.00000  120.00000
   52    50    51    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    53    49   0.56750  1.0 1.0
   29    33    53    49  -0.07550 -1.0 2.0
   29    33    53    49   0.20000  1.0 3.0
   29    33    53    55   0.56750  1.0 1.0
   29    33    53    55  -0.07550 -1.0 2.0
   29    33    53    55   0.20000  1.0 3.0
   29    33    53    56   0.56750  1.0 1.0
   29    33    53    56  -0.07550 -1.0 2.0
   29    33    53    56   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    45   0.65300  1.0 1.0
   33    38    40    45  -0.03850 -1.0 2.0
   33    38    40    45   0.33900  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    47   0.34400  1.0 1.0
   33    38    42    47   0.09450 -1.0 2.0
   33    38    42    47   0.11100  1.0 3.0
   33    53    55    61   0.09850  1.0 1.0
   33    53    55    61   0.15250 -1.0 2.0
   33    53    55    61  -0.50650  1.0 3.0
   33    53    55    63   0.46850  1.0 1.0
   33    53    55    63   0.08550 -1.0 2.0
   33    53    55    63   0.09800  1.0 3.0
   33    53    56    67   0.06250  1.0 1.0
   33    53    56    67  -0.01100 -1.0 2.0
   33    53    56    67   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    53    49   0.15000  1.0 3.0
   34    33    53    55   0.15000  1.0 3.0
   34    33    53    56   0.23400  1.0 3.0
   38    33    53    49   0.34400  1.0 1.0
   38    33    53    49   0.09450 -1.0 2.0
   38    33    53    49   0.11100  1.0 3.0
   38    33    53    55   0.34400  1.0 1.0
   38    33    53    55   0.09450 -1.0 2.0
   38    33    53    55   0.11100  1.0 3.0
   38    33    53    56   0.62750  1.0 1.0
   38    33    53    56  -0.30950 -1.0 2.0
   38    33    53    56   0.27300  1.0 3.0
   38    40    45    46   0.04550  1.0 1.0
   38    40    45    46   0.83000 -1.0 2.0
   38    40    45    46  -0.04000  1.0 3.0
   38    40   -45    49  -0.33500  1.0 1.0
   38    40   -45    49   1.06600 -1.0 2.0
   38    40   -45    49  -0.14000  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    50   0.09850  1.0 1.0
   38    42    47    50   0.15250 -1.0 2.0
   38    42    47    50  -0.50650  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    47  -0.98800  1.0 1.0
   40    38    42    47   0.48800 -1.0 2.0
   40    38    42    47   0.76800  1.0 3.0
   40    45    49    53   7.00000 -1.0 2.0
   40    45    49    54   7.00000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    49   1.00000 -1.0 2.0
   45    49   -53    33   0.09850  1.0 1.0
   45    49   -53    33   0.15250 -1.0 2.0
   45    49   -53    33  -0.50650  1.0 3.0
   45    49    53    55  -0.28300  1.0 1.0
   45    49    53    55   0.26700 -1.0 2.0
   45    49    53    55  -0.63300  1.0 3.0
   45    49    53    56   0.39000  1.0 1.0
   45    49    53    56  -0.05800 -1.0 2.0
   45    49    53    56  -0.55150  1.0 3.0
   45    49    54    57  -2.26850  1.0 1.0
   45    49    54    57   3.39050 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   46    45    49    54   7.00000 -1.0 2.0
   49    53    55    61  -0.28300  1.0 1.0
   49    53    55    61   0.26700 -1.0 2.0
   49    53    55    61  -0.63300  1.0 3.0
   49    53    55    63   0.09700  1.0 1.0
   49    53    55    63   0.15600 -1.0 2.0
   49    53    55    63  -0.50800  1.0 3.0
   49    53    56    67  -0.77900  1.0 1.0
   49    53    56    67  -0.36900 -1.0 2.0
   49    53    56    67   0.40400  1.0 3.0
   49    54    57    58   0.08050  1.0 3.0
   49    54    57    59   0.08050  1.0 3.0
   49    54    57    60   0.08050  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40  -0.95700  1.0 1.0
   53    33   -38    40  -0.18200 -1.0 2.0
   53    33   -38    40   0.29450  1.0 3.0
   53    33    38    42   0.56750  1.0 1.0
   53    33    38    42  -0.07550 -1.0 2.0
   53    33    38    42   0.20000  1.0 3.0
   53    49    54    57   2.00000 -1.0 2.0
   53    55    61    62   7.00000 -1.0 2.0
   53    55    61    71   7.00000 -1.0 2.0
   53    55    63    64   0.34800  1.0 3.0
   53    55    63    65   0.34800  1.0 3.0
   53    55    63    66   0.34800  1.0 3.0
   53    56    67    68   0.37050  1.0 3.0
   53    56    67    69   0.37050  1.0 3.0
   53    56    67    70   0.37050  1.0 3.0
   55    53    56    67  -0.77900  1.0 1.0
   55    53    56    67  -0.36900 -1.0 2.0
   55    53    56    67   0.40400  1.0 3.0
   55    61    71    72   0.15800  1.0 1.0
   55    61    71    72   1.85350 -1.0 2.0
   55    61    71    72  -0.48700  1.0 3.0
   55    61    71    78   0.15800  1.0 1.0
   55    61    71    78   1.85350 -1.0 2.0
   55    61    71    78  -0.48700  1.0 3.0
   61    55    63    64   0.00000  1.0 1.0
   61    55    63    65   0.00000  1.0 1.0
   61    55    63    66   0.00000  1.0 1.0
   61    71    72    73   3.62500 -1.0 2.0
   61    71    72    74   3.62500 -1.0 2.0
   61    71    78    77   3.62500 -1.0 2.0
   61    71    78    79   3.62500 -1.0 2.0
   62    61    71    72   0.56550  1.0 3.0
   62    61    71    78   0.56550  1.0 3.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    76   3.62500 -1.0 2.0
   72    71    78    77   3.62500 -1.0 2.0
   72    71    78    79   3.62500 -1.0 2.0
   72    74   -76    77   3.62500 -1.0 2.0
   72    74    76    84   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    80   3.62500 -1.0 2.0
   74    76    84    81   1.63200 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    84   3.62500 -1.0 2.0
   76    77   -78    71   3.62500 -1.0 2.0
   76    77    78    79   3.62500 -1.0 2.0
   76    77   -80    81   1.63200 -1.0 2.0
   77    76   -84    81   1.63200 -1.0 2.0
   77    80    81    82   0.08050  1.0 3.0
   77    80    81    83   0.08050  1.0 3.0
   77    80   -81    84  -0.25600  1.0 1.0
   77    80   -81    84  -0.40050 -1.0 2.0
   77    80   -81    84   0.34700  1.0 3.0
   78    71    72    73   3.62500 -1.0 2.0
   78    71   -72    74   3.62500 -1.0 2.0
   78    77    80    81   1.63200 -1.0 2.0
   80    77    78    71   3.62500 -1.0 2.0
   80    77    78    79   3.62500 -1.0 2.0
   80    81   -84    76  -0.25600  1.0 1.0
   80    81   -84    76  -0.40050 -1.0 2.0
   80    81   -84    76   0.34700  1.0 3.0
   82    81    84    76   0.08050  1.0 3.0
   83    81    84    76   0.08050  1.0 3.0
   84    76    77    78   3.62500 -1.0 2.0
   84    76   -77    80   3.62500 -1.0 2.0
   63    55    61    62   7.00000 -1.0 2.0
   63    55    61    71   7.00000 -1.0 2.0
   56    53    55    61   0.39000  1.0 1.0
   56    53    55    61  -0.05800 -1.0 2.0
   56    53    55    61  -0.55150  1.0 3.0
   56    53    55    63   0.09700  1.0 1.0
   56    53    55    63   0.15600 -1.0 2.0
   56    53    55    63  -0.50800  1.0 3.0
   54    49    53    33   0.09700  1.0 1.0
   54    49    53    33   0.15600 -1.0 2.0
   54    49    53    33  -0.50800  1.0 3.0
   54    49    53    55   0.09700  1.0 1.0
   54    49    53    55   0.15600 -1.0 2.0
   54    49    53    55  -0.50800  1.0 3.0
   54    49    53    56   0.09700  1.0 1.0
   54    49    53    56   0.15600 -1.0 2.0
   54    49    53    56  -0.50800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    45   0.65300  1.0 1.0
   42    38    40    45  -0.03850 -1.0 2.0
   42    38    40    45   0.33900  1.0 3.0
   42    47    50    51   7.00000 -1.0 2.0
   42    47    50    52   7.00000 -1.0 2.0
   43    42    47    48   0.33100  1.0 3.0
   43    42    47    50   0.00000  1.0 1.0
   44    42    47    48   0.33100  1.0 3.0
   44    42    47    50   0.00000  1.0 1.0
   48    47    50    51   7.00000 -1.0 2.0
   48    47    50    52   7.00000 -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
   37    30    35    36  10.50000 -1.0 2.0
   38    45    40    41  10.50000 -1.0 2.0
   40    46    45    49   1.10000 -1.0 2.0
   53    54    49    45   1.10000 -1.0 2.0
   53    63    55    61  15.00000 -1.0 2.0
   71    62    61    55  15.00000 -1.0 2.0
   72    78    71    61   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    84    76    74   4.00000 -1.0 2.0
   78    80    77    76   4.00000 -1.0 2.0
   77    79    78    71   1.10000 -1.0 2.0
   42    48    47    50  15.00000 -1.0 2.0
   51    52    50    47  15.00000 -1.0 2.0
END
