* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    156    242     460
    1     0 S   NP   _N1_     1    28.97750    96.15009   -24.13339
    2     1 S   H    _HN1     2     1.02776   109.99820   -84.28508
    3     1 S   H    _H1_     3     1.02964    72.59875    19.40971
    4     1 S   H    _H2_     4     1.02831    35.89539  -177.51029
    5     1 S   CT   _CA1     5     1.50154   133.56910   121.18542
    6     5 S   HC   _HA1     6     1.09581   105.17795    92.47057
    7     5 S   CO3  _C1_     7     1.53768   112.45739   -27.56527
    8     7 S   O2Z  _O11     8     1.26353   115.00455   -41.49306
    9     7 S   O2Z  _O12     9     1.26250   114.92003   137.54644
   10     5 S   CT   _CB1    10     1.53081   107.37197  -149.73033
   11    10 S   HC   HB11    11     1.09825   109.14587   -51.31058
   12    10 S   HC   HB12    12     1.09819   110.45376    65.16856
   13    10 S   CT   _CG1    13     1.53012   112.78977  -172.49214
   14    13 S   HC   HG11    14     1.09597   110.39027   -66.22020
   15    13 S   HC   HG12    15     1.09658   110.00496    53.00760
   16    13 S   C    _CD1    16     1.51828   112.33216   173.16982
   17    16 S   O    _OE1    17     1.22719   123.25377    -3.23283
   18    16 S   N    _N2_    18     1.38641   111.68265   177.54202
   19    18 S   H    _HN2    19     1.01567   118.99278     1.51620
   20    18 S   CT1  _CA2    20     1.46087   123.40703   179.16257
   21    20 S   HC   _HA2    21     1.09607   109.37750     1.45481
   22    20 S   C    _C2_    22     1.53498   108.70727  -113.69984
   23    22 S   O    _O2_    23     1.23050   122.17983  -144.02406
   24    20 S   CT   _CB2    32     1.53295   111.57879   123.88297
   25    24 S   HC   HB21    33     1.09647   109.83810    59.43394
   26    24 S   HC   HB22    34     1.09583   110.89079   176.90067
   27    22 S   N    _N3_    24     1.38492   113.58353    43.43964
   28    27 S   H    _HN3    25     1.01480   119.05281    -0.34662
   29    24 S   S    _SG2    35     1.82849   114.60088   -60.79305
   30    27 S   CT   _CA3    26     1.45430   123.29599   174.85014
   31    30 S   HC   HA31    27     1.09529   109.16349    27.22352
   32    30 S   HC   HA32    28     1.09495   107.18516   144.21226
   33    29 S   CT   _C20    36     1.84673    99.74545   -62.36240
   34    33 S   HC   _H3_    37     1.08861   105.02475   -35.03300
   35    33 S   HC   _H4_    38     1.09759   106.62534    77.84623
   36    30 S   CO3  _C3_    29     1.52917   112.97770   -96.17131
   37    36 S   O2Z  _O31    30     1.26408   115.32686   -47.72122
   38    36 S   O2Z  _O32    31     1.26342   115.04593   133.14759
   39    33 S   CT   _C15    39     1.57467   116.13441  -158.63094
   40    39 S   OM   _O18    40     1.31777   105.34498   -66.96295
   41    39 S   CT   _C11    41     1.54300   113.50273    55.85925
   42    41 S   HC   _H31    42     1.09465   113.76034   -51.07958
   43    41 S   CT   _C9_    43     1.53542   103.32011    68.87226
   44    43 S   HC   _H28    44     1.09492   111.66415   153.78793
   45    43 S   HC   _H29    45     1.09572   110.68572   -86.21077
   46    41 S   OS   _O20    61     1.44049   112.22294  -171.26448
   47    43 S   CT   _C12    46     1.54794   104.66880    33.48977
   48    47 S   HC   _H32    47     1.08947   109.52294   120.51203
   49    39 S   CT   _C14    48     1.59333   114.27056   166.62438
   50    47 S   OS   _O21    74     1.44226   110.69261  -121.86714
   51    49 S   CT   _C13    49     1.62713   113.01907   175.45171
   52    49 S   CT   _C19    70     1.54078   113.01082    47.85173
   53    52 S   HC   _H42    71     1.09399   111.57311    67.17779
   54    52 S   HC   _H43    72     1.09436   112.38844   -52.73760
   55    52 S   HC   _H44    73     1.09411   111.45257  -171.83930
   56    50 S   CO4  _C6_    75     1.36209   117.49068   -75.45195
   57    56 S   O    _O19    76     1.22315   126.44469    -0.76515
   58    51 S   CT   _C8_    50     1.56524   114.43381   -68.54800
   59    58 S   HC   _H26    51     1.08917   111.88591    57.23403
   60    58 S   HC   _H27    52     1.09624   110.75521   -61.18493
   61    51 S   CT   _C18    66     1.56623   110.93227   173.19928
   62    61 S   HC   _H39    67     1.09035   113.88789   -51.52521
   63    61 S   HC   _H40    68     1.09491   112.12709  -170.66917
   64    61 S   HC   _H41    69     1.09532   111.16341    69.77330
   65    56 S   CT   _C17    77     1.49846   109.37190   178.98105
   66    65 S   HC   _H36    78     1.09312   109.79617   -60.66137
   67    65 S   HC   _H37    79     1.09373   109.37419  -179.71061
   68    65 S   HC   _H38    80     1.09289   109.82703    61.19807
   69    58 S   CT   _C7_    53     1.53630   113.96621   176.11108
   70    69 S   HC   _H24    54     1.09741   107.93886  -165.50057
   71    69 S   HC   _H25    55     1.09626   110.40563    78.67912
   72    69 S   CM   _C5_    56     1.50456   113.13706   -44.17947
   73    72 S   CM   _C4_    57     1.34357   121.92454    15.07409
   74    73 S   HC   _H23    58     1.08772   119.34629  -178.88706
   75    72 S   CT   _C16    62     1.50014   116.13558  -164.92918
   76    75 S   HC   _H33    63     1.09482   110.22289   -58.97380
   77    75 S   HC   _H34    64     1.09505   112.18747  -178.99770
   78    75 S   HC   _H35    65     1.09478   110.32486    60.88640
   79    51 S   CT   _C10    59     1.56184   108.50390    53.41664
   80    79 S   HC   _H30    60     1.09734   108.96212    80.48979
  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
  12   5   4   2   1   1  19   8  14   7  11   6   5  10  14   5
  18   8  19   6   2   1   1   5   4  14   7   6   7   3   2   1
   3   2   1   1  10   4   3   8   7   3   4   2   1   1   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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    49    51    46    52  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    49    51    58    79    46    61    52    53    54    55    50  
   41    42    43    47    49    51    46    52  
   42    43    44    45    47    48    49    51    73    79    80    46    52    50  
   43    44    45    47    49    79    46  
   44    45    47    48    49    51    79    46    52    50    56  
   45    47    48    49    46    50  
   47    48    49    46    50  
   61    47    49    51    58    72    73    74    79    80  
   48    49    51    58    79    61    52    53    54    55    50    56    57    65  
   49    51    52    50    56  
   51    58    59    60    69    73    79    80    61    62    63    64    52    53    54    55    50    56  
   56    57    65    66    67    68    51    52  
   58    59    60    69    70    71    72    73    74    79    80    61    62    63    64    52    53    54    55  
   53    54    55    58    61    79  
   54    55  
   55  
    0  
   57    65    66    67    68  
   65    66    67    68  
   59    60    69    70    71    72    73    79    80    75    61    62    63    64  
   60    69    70    71    72    79    61  
   69    70    71    72    79    61  
   62    63    64    69    73    79    80  
   63    64    79  
   64    79  
   79  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    79    75    76    77    78  
   71    72    73    75  
   72    73    75  
   73    74    79    80    75    76    77    78  
   74    79    80    75    76    77    78  
   79    80    75  
   76    77    78    79  
   77    78  
   78  
    0  
   80  
    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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   570.000  1.307
   39    41   268.000  1.529
   39    49   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    50   320.000  1.410
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    58   268.000  1.529
   51    79   268.000  1.529
   51    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.510
   72    73   549.000  1.340
   72    75   317.000  1.510
   73    74   340.000  1.080
   73    79   317.000  1.510
   79    80   340.000  1.090
   79    46   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   50    56   214.000  1.327
   56    57   570.000  1.229
   56    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    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    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    49    58.35000  112.70000
   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    46    50.00000  109.50000
   39    49    47    58.35000  112.70000
   39    49    51    58.35000  112.70000
   39    49    52    58.35000  112.70000
   41    39    40    50.00000  109.50000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    79    60.00000  109.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    58.35000  112.70000
   43    47    50    50.00000  109.50000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    52    58.35000  112.70000
   47    50    56    83.00000  116.90000
   49    39    40    50.00000  109.50000
   49    39    41    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    58    58.35000  112.70000
   49    51    79    58.35000  112.70000
   49    51    61    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    69    58.35000  112.70000
   51    79    73    70.00000  112.02700
   51    79    80    37.50000  110.70000
   51    79    46    50.00000  109.50000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    64    37.50000  110.70000
   58    69    70    37.50000  110.70000
   58    69    71    37.50000  110.70000
   58    69    72    70.00000  112.02700
   60    58    59    33.00000  107.80000
   69    58    59    37.50000  110.70000
   69    58    60    37.50000  110.70000
   69    72    73    70.00000  124.00000
   69    72    75    65.00000  117.92700
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    73    74    35.00000  120.00000
   72    73    79    70.00000  124.00000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   73    79    80    35.00000  109.50000
   73    79    46    85.00000  110.90400
   79    51    58    58.35000  112.70000
   79    73    74    35.00000  117.00000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
   46    79    80    35.00000  109.50000
   75    72    73    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   61    51    58    58.35000  112.70000
   61    51    79    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    49    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    50.00000  109.50000
   50    56    57    83.00000  123.40000
   50    56    65    81.00000  111.40000
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    68    35.00000  109.50000
   65    56    57    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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    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   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  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    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  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    46   0.62750  1.0 1.0
   33    39    41    46  -0.30950 -1.0 2.0
   33    39    41    46   0.27300  1.0 3.0
   33    39    49    47   0.56750  1.0 1.0
   33    39    49    47  -0.07550 -1.0 2.0
   33    39    49    47   0.20000  1.0 3.0
   33    39    49    51   0.56750  1.0 1.0
   33    39    49    51  -0.07550 -1.0 2.0
   33    39    49    51   0.20000  1.0 3.0
   33    39    49    52   0.56750  1.0 1.0
   33    39    49    52  -0.07550 -1.0 2.0
   33    39    49    52   0.20000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    45   0.15000  1.0 3.0
   39    41   -43    47   0.56750  1.0 1.0
   39    41   -43    47  -0.07550 -1.0 2.0
   39    41   -43    47   0.20000  1.0 3.0
   39    41    46    79   0.06250  1.0 1.0
   39    41    46    79  -0.01100 -1.0 2.0
   39    41    46    79   0.28050  1.0 3.0
   39    49    51    58   0.56750  1.0 1.0
   39    49    51    58  -0.07550 -1.0 2.0
   39    49    51    58   0.20000  1.0 3.0
   39    49   -51    79   0.56750  1.0 1.0
   39    49   -51    79  -0.07550 -1.0 2.0
   39    49   -51    79   0.20000  1.0 3.0
   39    49    51    61   0.56750  1.0 1.0
   39    49    51    61  -0.07550 -1.0 2.0
   39    49    51    61   0.20000  1.0 3.0
   39    49    52    53   0.15000  1.0 3.0
   39    49    52    54   0.15000  1.0 3.0
   39    49    52    55   0.15000  1.0 3.0
   40    39    41    42   0.23400  1.0 3.0
   40    39    41    43   0.62750  1.0 1.0
   40    39    41    43  -0.30950 -1.0 2.0
   40    39    41    43   0.27300  1.0 3.0
   40    39    41    46   1.11900  1.0 1.0
   40    39    41    46  -1.16350 -1.0 2.0
   40    39    41    46  -0.34150  1.0 3.0
   40    39    49    47   0.62750  1.0 1.0
   40    39    49    47  -0.30950 -1.0 2.0
   40    39    49    47   0.27300  1.0 3.0
   40    39    49    51   0.62750  1.0 1.0
   40    39    49    51  -0.30950 -1.0 2.0
   40    39    49    51   0.27300  1.0 3.0
   40    39    49    52   0.62750  1.0 1.0
   40    39    49    52  -0.30950 -1.0 2.0
   40    39    49    52   0.27300  1.0 3.0
   41    39   -49    47   0.56750  1.0 1.0
   41    39   -49    47  -0.07550 -1.0 2.0
   41    39   -49    47   0.20000  1.0 3.0
   41    39    49    51   0.56750  1.0 1.0
   41    39    49    51  -0.07550 -1.0 2.0
   41    39    49    51   0.20000  1.0 3.0
   41    39    49    52   0.56750  1.0 1.0
   41    39    49    52  -0.07550 -1.0 2.0
   41    39    49    52   0.20000  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    49   0.56750  1.0 1.0
   41    43   -47    49  -0.07550 -1.0 2.0
   41    43   -47    49   0.20000  1.0 3.0
   41    43    47    50   0.62750  1.0 1.0
   41    43    47    50  -0.30950 -1.0 2.0
   41    43    47    50   0.27300  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    46    79   0.37050  1.0 3.0
   43    41    46    79   0.06250  1.0 1.0
   43    41    46    79  -0.01100 -1.0 2.0
   43    41    46    79   0.28050  1.0 3.0
   43    47   -49    39   0.56750  1.0 1.0
   43    47   -49    39  -0.07550 -1.0 2.0
   43    47   -49    39   0.20000  1.0 3.0
   43    47    49    51   0.56750  1.0 1.0
   43    47    49    51  -0.07550 -1.0 2.0
   43    47    49    51   0.20000  1.0 3.0
   43    47    49    52   0.56750  1.0 1.0
   43    47    49    52  -0.07550 -1.0 2.0
   43    47    49    52   0.20000  1.0 3.0
   43    47    50    56  -0.25900  1.0 1.0
   43    47    50    56  -0.47000 -1.0 2.0
   43    47    50    56   0.11750  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    50   0.23400  1.0 3.0
   47    49    51    58   0.56750  1.0 1.0
   47    49    51    58  -0.07550 -1.0 2.0
   47    49    51    58   0.20000  1.0 3.0
   47    49    51    79   0.56750  1.0 1.0
   47    49    51    79  -0.07550 -1.0 2.0
   47    49    51    79   0.20000  1.0 3.0
   47    49    51    61   0.56750  1.0 1.0
   47    49    51    61  -0.07550 -1.0 2.0
   47    49    51    61   0.20000  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49    52    55   0.15000  1.0 3.0
   47    50    56    57   3.00000 -1.0 2.0
   47    50    56    65   1.63150  1.0 1.0
   47    50    56    65   2.92000 -1.0 2.0
   48    47    49    39   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    50    56   0.08050  1.0 3.0
   49    39    41    42   0.15000  1.0 3.0
   49    39   -41    43   0.56750  1.0 1.0
   49    39   -41    43  -0.07550 -1.0 2.0
   49    39   -41    43   0.20000  1.0 3.0
   49    39    41    46   0.62750  1.0 1.0
   49    39    41    46  -0.30950 -1.0 2.0
   49    39    41    46   0.27300  1.0 3.0
   49    47    50    56  -0.25900  1.0 1.0
   49    47    50    56  -0.47000 -1.0 2.0
   49    47    50    56   0.11750  1.0 3.0
   49    51    58    59   0.15000  1.0 3.0
   49    51    58    60   0.15000  1.0 3.0
   49    51    58    69   0.56750  1.0 1.0
   49    51    58    69  -0.07550 -1.0 2.0
   49    51    58    69   0.20000  1.0 3.0
   49    51    79    73   0.34400  1.0 1.0
   49    51    79    73   0.09450 -1.0 2.0
   49    51    79    73   0.11100  1.0 3.0
   49    51    79    80   0.15000  1.0 3.0
   49    51   -79    46   0.62750  1.0 1.0
   49    51   -79    46  -0.30950 -1.0 2.0
   49    51   -79    46   0.27300  1.0 3.0
   49    51    61    62   0.15000  1.0 3.0
   49    51    61    63   0.15000  1.0 3.0
   49    51    61    64   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   51    58    69    70   0.15000  1.0 3.0
   51    58    69    71   0.15000  1.0 3.0
   51    58    69    72   0.34400  1.0 1.0
   51    58    69    72   0.09450 -1.0 2.0
   51    58    69    72   0.11100  1.0 3.0
   51    79   -46    41   0.06250  1.0 1.0
   51    79   -46    41  -0.01100 -1.0 2.0
   51    79   -46    41   0.28050  1.0 3.0
   58    51    79    73   0.34400  1.0 1.0
   58    51    79    73   0.09450 -1.0 2.0
   58    51    79    73   0.11100  1.0 3.0
   58    51    79    80   0.15000  1.0 3.0
   58    51    79    46   0.62750  1.0 1.0
   58    51    79    46  -0.30950 -1.0 2.0
   58    51    79    46   0.27300  1.0 3.0
   58    51    61    62   0.15000  1.0 3.0
   58    51    61    63   0.15000  1.0 3.0
   58    51    61    64   0.15000  1.0 3.0
   58    69   -72    73   0.09850  1.0 1.0
   58    69   -72    73   0.15250 -1.0 2.0
   58    69   -72    73  -0.50650  1.0 3.0
   58    69    72    75   0.46850  1.0 1.0
   58    69    72    75   0.08550 -1.0 2.0
   58    69    72    75   0.09800  1.0 3.0
   59    58    69    70   0.15000  1.0 3.0
   59    58    69    71   0.15000  1.0 3.0
   59    58    69    72   0.15000  1.0 3.0
   60    58    69    70   0.15000  1.0 3.0
   60    58    69    71   0.15000  1.0 3.0
   60    58    69    72   0.15000  1.0 3.0
   69    72    73    74   7.00000 -1.0 2.0
   69    72    73    79   7.00000 -1.0 2.0
   69    72    75    76   0.34800  1.0 3.0
   69    72    75    77   0.34800  1.0 3.0
   69    72    75    78   0.34800  1.0 3.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    75   0.34800  1.0 3.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    75   0.34800  1.0 3.0
   72    73   -79    51   0.09850  1.0 1.0
   72    73   -79    51   0.15250 -1.0 2.0
   72    73   -79    51  -0.50650  1.0 3.0
   72    73    79    80   0.00000  1.0 1.0
   72    73    79    46   0.39000  1.0 1.0
   72    73    79    46  -0.05800 -1.0 2.0
   72    73    79    46  -0.55150  1.0 3.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    77   0.00000  1.0 1.0
   73    72    75    78   0.00000  1.0 1.0
   73    79    46    41  -0.77900  1.0 1.0
   73    79    46    41  -0.36900 -1.0 2.0
   73    79    46    41   0.40400  1.0 3.0
   74    73    79    51   0.00000  1.0 1.0
   74    73    79    80   0.33100  1.0 3.0
   74    73    79    46   0.00000  1.0 1.0
   79    51    58    59   0.15000  1.0 3.0
   79    51    58    60   0.15000  1.0 3.0
   79    51   -58    69   0.56750  1.0 1.0
   79    51   -58    69  -0.07550 -1.0 2.0
   79    51   -58    69   0.20000  1.0 3.0
   79    51    61    62   0.15000  1.0 3.0
   79    51    61    63   0.15000  1.0 3.0
   79    51    61    64   0.15000  1.0 3.0
   80    79    46    41   0.37050  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    47   0.62750  1.0 1.0
   46    41    43    47  -0.30950 -1.0 2.0
   46    41    43    47   0.27300  1.0 3.0
   75    72    73    74   7.00000 -1.0 2.0
   75    72    73    79   7.00000 -1.0 2.0
   61    51    58    59   0.15000  1.0 3.0
   61    51    58    60   0.15000  1.0 3.0
   61    51    58    69   0.56750  1.0 1.0
   61    51    58    69  -0.07550 -1.0 2.0
   61    51    58    69   0.20000  1.0 3.0
   61    51    79    73   0.34400  1.0 1.0
   61    51    79    73   0.09450 -1.0 2.0
   61    51    79    73   0.11100  1.0 3.0
   61    51    79    80   0.15000  1.0 3.0
   61    51    79    46   0.62750  1.0 1.0
   61    51    79    46  -0.30950 -1.0 2.0
   61    51    79    46   0.27300  1.0 3.0
   52    49    51    58   0.56750  1.0 1.0
   52    49    51    58  -0.07550 -1.0 2.0
   52    49    51    58   0.20000  1.0 3.0
   52    49    51    79   0.56750  1.0 1.0
   52    49    51    79  -0.07550 -1.0 2.0
   52    49    51    79   0.20000  1.0 3.0
   52    49    51    61   0.56750  1.0 1.0
   52    49    51    61  -0.07550 -1.0 2.0
   52    49    51    61   0.20000  1.0 3.0
   50    47    49    39   0.62750  1.0 1.0
   50    47    49    39  -0.30950 -1.0 2.0
   50    47    49    39   0.27300  1.0 3.0
   50    47    49    51   0.62750  1.0 1.0
   50    47    49    51  -0.30950 -1.0 2.0
   50    47    49    51   0.27300  1.0 3.0
   50    47    49    52   0.62750  1.0 1.0
   50    47    49    52  -0.30950 -1.0 2.0
   50    47    49    52   0.27300  1.0 3.0
   50    56    65    66   0.00000  1.0 1.0
   50    56    65    67   0.00000  1.0 1.0
   50    56    65    68   0.00000  1.0 1.0
   57    56    65    66   0.00000  1.0 1.0
   57    56    65    67   0.00000  1.0 1.0
   57    56    65    68   0.00000  1.0 1.0
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
   38    30    36    37  10.50000 -1.0 2.0
   69    75    72    73   1.10000 -1.0 2.0
   79    74    73    72   1.10000 -1.0 2.0
   50    65    56    57  10.50000 -1.0 2.0
END
