* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    146    204     414
    1     0 S   NP   _N1_     1    29.59517    93.88518   -25.34744
    2     1 S   H    _HN1     2     1.02833    22.70248  -165.24424
    3     1 S   H    _H1_     3     1.02784   119.09625  -100.04585
    4     1 S   H    _H2_     4     1.02955    84.52846     7.90155
    5     1 S   CT   _CA1     5     1.50121   117.99992   118.12448
    6     5 S   HC   _HA1     6     1.09575   105.21782    82.86066
    7     5 S   CO3  _C1_     7     1.53769   112.38367   -37.35615
    8     7 S   O2Z  _O11     8     1.26362   114.99603   -44.36856
    9     7 S   O2Z  _O12     9     1.26236   114.92559   134.74753
   10     5 S   CT   _CB1    10     1.53083   107.41623  -159.23605
   11    10 S   HC   HB11    11     1.09832   109.30943   -50.64702
   12    10 S   HC   HB12    12     1.09817   110.44657    65.89614
   13    10 S   CT   _CG1    13     1.53022   112.68108  -171.70769
   14    13 S   HC   HG11    14     1.09588   110.55421   -65.17748
   15    13 S   HC   HG12    15     1.09657   109.89251    54.07695
   16    13 S   C    _CD1    16     1.51782   112.20319   174.43972
   17    16 S   O    _OE1    17     1.22752   123.27116     3.25113
   18    16 S   N    _N2_    18     1.38576   111.82981  -177.07136
   19    18 S   H    _HN2    19     1.01606   119.07794     2.06450
   20    18 S   CT1  _CA2    20     1.45782   122.86554   176.93765
   21    20 S   HC   _HA2    21     1.09409   110.27672     6.74337
   22    20 S   C    _C2_    22     1.52702   105.10581  -109.00950
   23    22 S   O    _O2_    23     1.22906   122.85930   -96.38030
   24    20 S   CT   _CB2    32     1.53034   111.69993   130.18008
   25    24 S   HC   HB21    33     1.09672   109.96660    55.53057
   26    24 S   HC   HB22    34     1.09481   110.95373   172.48571
   27    22 S   N    _N3_    24     1.38506   112.55613    80.84327
   28    27 S   H    _HN3    25     1.01679   120.03624    -0.91129
   29    24 S   S    _SG2    35     1.83153   114.39579   -63.65170
   30    27 S   CT   _CA3    26     1.45296   122.67705  -179.06665
   31    30 S   HC   HA31    27     1.09564   107.47371   -61.50882
   32    30 S   HC   HA32    28     1.09554   107.96901    54.83750
   33    29 S   CT   _C13    36     1.83851   101.78674   -59.40235
   34    33 S   HC   _H3_    37     1.09566   107.93684    61.20356
   35    30 S   CO3  _C3_    29     1.52883   114.17115   176.47130
   36    35 S   O2Z  _O31    30     1.26342   115.98598   -11.37148
   37    35 S   O2Z  _O32    31     1.26415   114.46390   168.80703
   38    33 S   CO4  _C6_    38     1.52247   110.06719   175.64113
   39    38 S   O    _O19    39     1.23035   123.46503   -14.11578
   40    38 S   CM   _C4_    40     1.50574   117.00230   170.19464
   41    40 S   CM   _C5_    41     1.34889   120.45702   -14.14152
   42    40 S   CT   _C14    78     1.50456   114.16702   163.53830
   43    42 S   HC   _H27    79     1.09580   110.43107   -47.63907
   44    42 S   HC   _H28    80     1.09219   113.54420  -166.80553
   45    42 S   HC   _H29    81     1.09493   110.12446    72.07134
   46    41 S   CO4  _C7_    42     1.50255   120.00626    -4.52956
   47    46 S   O    _O20    43     1.23096   120.90775   172.11360
   48    41 S   CT   _C19    51     1.51415   124.94700   177.55423
   49    48 S   HC   _H42    52     1.09574   111.03703    27.20382
   50    48 S   HC   _H43    53     1.09402   109.67921   141.02657
   51    33 S   CT   _C12    44     1.52421   112.88319   -61.86661
   52    51 S   HC   _H25    45     1.09660   109.81201    62.52550
   53    48 S   CM   _C8_    54     1.50445   111.38868   -93.53633
   54    53 S   HC   _H23    55     1.09045   114.12166    65.86183
   55    51 S   OS   _O21    46     1.42430   110.41789   -60.34425
   56    53 S   CM   _C10    56     1.34787   128.47518  -113.56231
   57    55 S   CT   _C18    47     1.42156   113.15459   158.08643
   58    57 S   HC   _H39    48     1.09333   108.19895  -179.02844
   59    57 S   HC   _H40    49     1.09352   110.96433    62.15454
   60    57 S   HC   _H41    50     1.09425   110.47836   -60.43162
   61    56 S   CT   _C15    57     1.50378   125.24937    -1.58634
   62    61 S   HC   _H30    58     1.09405   110.54426   118.98353
   63    61 S   HC   _H31    59     1.09126   113.73475    -1.67841
   64    61 S   HC   _H32    60     1.09530   109.95057  -121.57079
   65    56 S   CT   _C21    61     1.51792   119.60817   179.33148
   66    65 S   HC   _H46    62     1.09855   108.86317    42.25116
   67    65 S   HC   _H47    63     1.09778   109.98638   156.99195
   68    65 S   CT   _C20    64     1.53576   114.04840   -78.80361
   69    68 S   HC   _H44    65     1.09383   109.95279    59.22412
   70    68 S   HC   _H45    66     1.09766   108.10987   173.86537
   71    68 S   CM   _C9_    67     1.50361   113.30068   -67.41510
   72    71 S   HC   _H24    68     1.08963   113.99508   -64.33143
   73    71 S   CM   _C11    69     1.34689   128.05872   116.79629
   74    73 S   CT   _C16    70     1.50606   120.39220   178.78856
   75    74 S   HC   _H33    71     1.09501   110.26356   119.92417
   76    74 S   HC   _H34    72     1.09507   112.42381    -0.16071
   77    74 S   HC   _H35    73     1.09454   110.23959  -120.25161
   78    73 S   CT   _C17    74     1.50209   125.43396    -1.34173
   79    78 S   HC   _H36    75     1.09444   109.86829   112.09679
   80    78 S   HC   _H37    76     1.09512   110.10135  -128.84662
   81    78 S   HC   _H38    77     1.09171   113.73380    -9.06126
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  12   4  12  15   5   2   1   1   9   4   8
   4   3   6   2  10   3   4  11   3   2   1   1   7   3   2   1
   8   5   4   7   4   3  10   3   8   7   3   2   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    51    52    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    51    52    55    57    42  
   38    39    40    46    51    52    55  
   36    37  
   37  
    0  
   39    40    41    46    51    52    55    48    42    43    44    45  
   40    41    51    42  
   41    46    47    51    48    49    50    53    42    43    44    45  
   46    47    51    52    55    48    49    50    53    54    56    42    43    44    45  
   43    44    45    46    48  
   44    45  
   45  
    0  
   47    51    52    55    57    48    49    50    53  
   51    52    55    48  
   49    50    53    54    56    61    65    51  
   50    53    54    56  
   53    54    56  
   52    55    57    58    59    60  
   55    57  
   54    56    61    62    63    64    65    66    67    68  
   56    61    65  
   57    58    59    60  
   61    62    63    64    65    66    67    68    69    70    71  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    78  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77    78    79    80    81  
   73    74    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    51   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    42   317.000  1.510
   41    46   320.000  1.462
   41    48   317.000  1.510
   46    47   570.000  1.229
   46    51   317.000  1.522
   51    52   340.000  1.090
   51    55   320.000  1.410
   55    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   317.000  1.510
   53    54   340.000  1.080
   53    56   549.000  1.340
   56    61   317.000  1.510
   56    65   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    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  110.18000
   29    33    51    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    51    46    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    42    65.00000  116.34900
   40    38    39    80.00000  123.72100
   40    41    46    65.00000  118.96000
   40    41    48    70.00000  124.00000
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    35.00000  109.50000
   41    46    47    80.00000  123.72100
   41    46    51    65.00000  118.62400
   41    48    49    35.00000  109.50000
   41    48    50    35.00000  109.50000
   41    48    53    70.00000  110.12100
   46    51    52    35.00000  109.50000
   46    51    55    90.00000  108.74100
   51    33    34    37.50000  110.70000
   51    33    38    63.00000  111.10000
   51    46    47    80.00000  120.40000
   51    55    57    60.00000  109.50000
   55    51    52    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    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
   48    41    46    65.00000  116.34900
   48    53    54    35.00000  117.00000
   48    53    56    70.00000  124.00000
   50    48    49    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    35.00000  109.50000
   53    56    61    70.00000  124.00000
   53    56    65    70.00000  124.00000
   56    53    54    35.00000  120.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    35.00000  109.50000
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    68    70.00000  112.02700
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    56    61    65.00000  117.92700
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    70.00000  112.02700
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    35.00000  117.00000
   68    71    73    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    78    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   42    40    41    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    51    46   0.56750  1.0 1.0
   29    33    51    46  -0.07550 -1.0 2.0
   29    33    51    46   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55   0.56750  1.0 1.0
   29    33    51    55  -0.07550 -1.0 2.0
   29    33    51    55   0.20000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    42   0.25700  1.0 1.0
   33    38    40    42   0.66200 -1.0 2.0
   33    38    40    42   0.04450  1.0 3.0
   33    51    55    57   0.06250  1.0 1.0
   33    51    55    57  -0.01100 -1.0 2.0
   33    51    55    57   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    51    46  -0.11250  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    55   0.23400  1.0 3.0
   38    33    51    46   0.11950  1.0 1.0
   38    33    51    46   0.20300 -1.0 2.0
   38    33    51    46  -0.70800  1.0 3.0
   38    33    51    52  -0.11250  1.0 3.0
   38    33    51    55  -0.09450  1.0 1.0
   38    33    51    55  -1.12950 -1.0 2.0
   38    33    51    55   0.54000  1.0 3.0
   38    40   -41    46   7.00000 -1.0 2.0
   38    40    41    48   7.00000 -1.0 2.0
   38    40    42    43   0.15000  1.0 3.0
   38    40    42    44   0.15000  1.0 3.0
   38    40    42    45   0.15000  1.0 3.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    42  -0.64400  1.0 1.0
   39    38    40    42   0.26850 -1.0 2.0
   40    41    46    47   1.00000 -1.0 2.0
   40    41    46    51  -0.33500  1.0 1.0
   40    41    46    51   1.06600 -1.0 2.0
   40    41    46    51  -0.14000  1.0 3.0
   40    41    48    49   0.00000  1.0 1.0
   40    41    48    50   0.00000  1.0 1.0
   40    41    48    53  -0.28300  1.0 1.0
   40    41    48    53   0.26700 -1.0 2.0
   40    41    48    53  -0.63300  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.00000  1.0 1.0
   41    46   -51    33   0.65300  1.0 1.0
   41    46   -51    33  -0.03850 -1.0 2.0
   41    46   -51    33   0.33900  1.0 3.0
   41    46    51    52   0.00000  1.0 1.0
   41    46    51    55   0.65300  1.0 1.0
   41    46    51    55  -0.03850 -1.0 2.0
   41    46    51    55   0.33900  1.0 3.0
   41    48    53    54   0.00000  1.0 1.0
   41    48    53    56  -0.28300  1.0 1.0
   41    48    53    56   0.26700 -1.0 2.0
   41    48    53    56  -0.63300  1.0 3.0
   46    41    48    49   0.15000  1.0 3.0
   46    41    48    50   0.15000  1.0 3.0
   46    41    48    53   0.09700  1.0 1.0
   46    41    48    53   0.15600 -1.0 2.0
   46    41    48    53  -0.50800  1.0 3.0
   46    51    55    57  -1.11000  1.0 1.0
   46    51    55    57   0.50250 -1.0 2.0
   46    51    55    57   0.47450  1.0 3.0
   47    46    51    33   0.30150 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    55   0.30150 -1.0 2.0
   51    33    38    39   0.30150 -1.0 2.0
   51    33   -38    40   0.65300  1.0 1.0
   51    33   -38    40  -0.03850 -1.0 2.0
   51    33   -38    40   0.33900  1.0 3.0
   51    55    57    58   0.37050  1.0 3.0
   51    55    57    59   0.37050  1.0 3.0
   51    55    57    60   0.37050  1.0 3.0
   52    51    55    57   0.37050  1.0 3.0
   48    41    46    47  -0.64400  1.0 1.0
   48    41    46    47   0.26850 -1.0 2.0
   48    41    46    51   0.25700  1.0 1.0
   48    41    46    51   0.66200 -1.0 2.0
   48    41    46    51   0.04450  1.0 3.0
   48    53    56    61   7.00000 -1.0 2.0
   48    53    56    65   7.00000 -1.0 2.0
   49    48    53    54   0.33100  1.0 3.0
   49    48    53    56   0.00000  1.0 1.0
   50    48    53    54   0.33100  1.0 3.0
   50    48    53    56   0.00000  1.0 1.0
   53    56    61    62   0.00000  1.0 1.0
   53    56    61    63   0.00000  1.0 1.0
   53    56    61    64   0.00000  1.0 1.0
   53    56    65    66   0.00000  1.0 1.0
   53    56    65    67   0.00000  1.0 1.0
   53    56    65    68   0.09850  1.0 1.0
   53    56    65    68   0.15250 -1.0 2.0
   53    56    65    68  -0.50650  1.0 3.0
   54    53    56    61   7.00000 -1.0 2.0
   54    53    56    65   7.00000 -1.0 2.0
   56    65    68    69   0.15000  1.0 3.0
   56    65    68    70   0.15000  1.0 3.0
   56    65    68    71   0.31000  1.0 1.0
   56    65    68    71   0.14700 -1.0 2.0
   56    65    68    71   0.07550  1.0 3.0
   61    56    65    66   0.34800  1.0 3.0
   61    56    65    67   0.34800  1.0 3.0
   61    56    65    68   0.46850  1.0 1.0
   61    56    65    68   0.08550 -1.0 2.0
   61    56    65    68   0.09800  1.0 3.0
   65    56    61    62   0.34800  1.0 3.0
   65    56    61    63   0.34800  1.0 3.0
   65    56    61    64   0.34800  1.0 3.0
   65    68    71    72   0.00000  1.0 1.0
   65    68    71    73   0.09850  1.0 1.0
   65    68    71    73   0.15250 -1.0 2.0
   65    68    71    73  -0.50650  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    73    74   7.00000 -1.0 2.0
   68    71    73    78   7.00000 -1.0 2.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.33100  1.0 3.0
   70    68    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    77   0.00000  1.0 1.0
   71    73    78    79   0.00000  1.0 1.0
   71    73    78    80   0.00000  1.0 1.0
   71    73    78    81   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    78   7.00000 -1.0 2.0
   74    73    78    79   0.34800  1.0 3.0
   74    73    78    80   0.34800  1.0 3.0
   74    73    78    81   0.34800  1.0 3.0
   78    73    74    75   0.34800  1.0 3.0
   78    73    74    76   0.34800  1.0 3.0
   78    73    74    77   0.34800  1.0 3.0
   42    40    41    46   7.00000 -1.0 2.0
   42    40    41    48   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
   33    40    38    39  10.50000 -1.0 2.0
   38    42    40    41   1.10000 -1.0 2.0
   46    48    41    40   1.10000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
   48    54    53    56  15.00000 -1.0 2.0
   61    65    56    53  15.00000 -1.0 2.0
   68    72    71    73  15.00000 -1.0 2.0
   74    78    73    71  15.00000 -1.0 2.0
END
