* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    151    245     445
    1     0 S   NP   _N1_     1    29.09725    92.86792   -22.36163
    2     1 S   H    _HN1     2     1.02774    99.27749   -80.10807
    3     1 S   H    _H1_     3     1.02967    94.24094    29.26166
    4     1 S   H    _H2_     4     1.02827    19.44185   161.50637
    5     1 S   CT   _CA1     5     1.50150   129.90211   150.32086
    6     5 S   HC   _HA1     6     1.09580   105.19881    63.10612
    7     5 S   CO3  _C1_     7     1.53782   112.43570   -56.94663
    8     7 S   O2Z  _O11     8     1.26353   115.01879   -41.76777
    9     7 S   O2Z  _O12     9     1.26254   114.91629   137.30088
   10     5 S   CT   _CB1    10     1.53074   107.35884  -179.09713
   11    10 S   HC   HB11    11     1.09821   109.17648   -51.40385
   12    10 S   HC   HB12    12     1.09823   110.42128    65.05663
   13    10 S   CT   _CG1    13     1.53013   112.80339  -172.63033
   14    13 S   HC   HG11    14     1.09596   110.29874   -64.83706
   15    13 S   HC   HG12    15     1.09641   110.13262    54.41663
   16    13 S   C    _CD1    16     1.51791   112.24332   174.54519
   17    16 S   O    _OE1    17     1.22741   123.22621    -7.97622
   18    16 S   N    _N2_    18     1.38680   111.75507   172.72150
   19    18 S   H    _HN2    19     1.01582   119.12971     1.37572
   20    18 S   CT1  _CA2    20     1.46061   123.17588  -179.00240
   21    20 S   HC   _HA2    21     1.09578   109.23793    -7.25252
   22    20 S   C    _C2_    22     1.53452   108.96799  -122.47490
   23    22 S   O    _O2_    23     1.23043   122.03967  -148.43761
   24    20 S   CT   _CB2    32     1.53453   111.78387   114.94853
   25    24 S   HC   HB21    33     1.09659   109.54841    64.26626
   26    24 S   HC   HB22    34     1.09576   110.81639  -178.50237
   27    22 S   N    _N3_    24     1.38453   113.56714    39.11714
   28    27 S   H    _HN3    25     1.01512   118.93250    -0.79130
   29    24 S   S    _SG2    35     1.82859   114.87290   -55.44099
   30    27 S   CT   _CA3    26     1.45446   123.47155   174.87359
   31    30 S   HC   HA31    27     1.09522   109.26124    24.14437
   32    30 S   HC   HA32    28     1.09496   107.12556   141.16554
   33    29 S   CT   _C18    36     1.82522    99.98589   -67.01609
   34    33 S   HC   _H3_    37     1.09422   107.57189   -59.86843
   35    33 S   HC   _H4_    38     1.09329   109.35962    57.94932
   36    30 S   CO3  _C3_    29     1.52925   113.06476   -99.33630
   37    36 S   O2Z  _O31    30     1.26406   115.39303   -44.72124
   38    36 S   O2Z  _O32    31     1.26351   114.99041   136.18590
   39    33 S   CT   _C8_    39     1.52634   110.70194   179.40653
   40    39 S   HC   _H27    40     1.09713   112.31388    44.01476
   41    39 S   CO4  _C4_    41     1.52510   113.63053   -80.05925
   42    41 S   O    _O16    42     1.22058   126.69474    41.25693
   43    41 S   OS   _O17    43     1.37886   109.49410  -139.14737
   44    43 S   CT   _C12    44     1.42864   107.95261    -8.82392
   45    44 S   HC   _H31    45     1.09745   107.11226   -83.47258
   46    39 S   CT   _C9_    46     1.52141   112.09081   169.12478
   47    46 S   HC   _H28    47     1.10238   107.85229    45.05574
   48    46 S   CT   _C5_    48     1.51608   119.02174   -78.41162
   49    48 S   HC   _H21    49     1.09571   110.37957    64.73829
   50    48 S   HC   _H22    50     1.09519   110.94981   -53.23319
   51    48 S   CT   _C6_    51     1.53825   108.85843  -175.39572
   52    51 S   HC   _H23    52     1.09725   109.06124   176.87432
   53    51 S   HC   _H24    53     1.09769   107.66638   -68.41368
   54    51 S   CT   _C14    54     1.56306   113.99718    53.42130
   55    44 S   CT   _C10    55     1.53341   115.43649   152.96898
   56    55 S   HC   _H29    56     1.10047   105.85272   -56.46925
   57    54 S   CT   _C16    72     1.55276   107.67805    70.85474
   58    57 S   HC   _H33    73     1.09369   112.79048  -176.63763
   59    57 S   HC   _H34    74     1.09639   110.44138    63.40432
   60    57 S   HC   _H35    75     1.09327   112.59481   -56.08213
   61    55 S   C3T  _C15    57     1.52450   116.19583    60.44788
   62    61 S   C3T  _C11    58     1.52169   119.21847   155.94384
   63    62 S   HC   _H30    59     1.08231   119.73450  -156.50170
   64    61 S   CT   _C17    68     1.49775   120.49978    -5.54726
   65    64 S   HC   _H36    69     1.09584   111.57505   175.46231
   66    64 S   HC   _H37    70     1.09405   110.93732    56.15120
   67    64 S   HC   _H38    71     1.09388   110.98829   -65.35018
   68    62 S   CT   _C7_    60     1.49585   122.14548    -5.15271
   69    68 S   HC   _H25    61     1.09624   108.83322   132.09609
   70    68 S   HC   _H26    62     1.09694   107.26428  -112.86108
   71    61 S   O3T  _O18    67     1.44823   111.36033  -140.60927
   72    54 S   CT   _C13    63     1.55747   109.66022  -170.70026
   73    72 S   HC   _H32    64     1.09720   109.62387   -55.82166
   74    72 S   OH   _O19    65     1.43032   109.93106    60.36057
   75    74 S   HO   _H41    66     0.97230   107.76469  -177.15573
  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
  11   5   4   2   1   1  13   7   8   3   9  16   7  11   5   9
   5   4  14   5   4  17  17   6   8   3   2   1  11  12   6   5
   3   2   1   7   5   4   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    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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    48  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49    50    51    55  
   41    42    43    44    46    47    48  
   42    43    44    45    46    47    48    55  
   43    44    46  
   44    45    46    47    48    54    55    56    61  
   45    46    47    48    49    50    51    54    55    56    61    62    72    71    64    57  
   46    47    48    54    55    56    61  
   47    48    49    50    51    52    53    54    55    56    61  
   48    49    50    51    55  
   49    50    51    52    53    54    55    72    57  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    61    68    72    73    74    57    58    59    60  
   53    54    55    72    57  
   54    55    72    57  
   55    56    61    62    68    69    70    72    73    74    75    71    64    57    58    59    60  
   56    61    62    63    68    72    73    74    71    64    65    66    67    57    58    59    60  
   61    62    72    71    64    57  
   58    59    60    61    68    72    73    74  
   59    60    72  
   60    72  
   72  
   62    63    68    69    70    72    71    64    65    66    67  
   63    68    69    70    72    73    74    71    64    65    66    67  
   68    69    70    72    71    64  
   65    66    67    68    71  
   66    67    71  
   67    71  
   71  
   69    70    72    73    74    75    71  
   70    72    73    74    71  
   72    73    74    71  
   72  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    55   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   268.000  1.529
   54    72   268.000  1.529
   54    57   268.000  1.529
   55    56   340.000  1.090
   55    61   275.000  1.510
   61    62   260.000  1.509
   61    71   335.000  1.432
   61    64   275.000  1.510
   62    63   340.000  1.088
   62    68   275.000  1.510
   62    71   335.000  1.432
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   320.000  1.410
   74    75   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    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    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    48    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    55    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    55    54    58.35000  112.70000
   44    55    56    37.50000  110.70000
   44    55    61    70.00000  112.37300
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    58.35000  112.70000
   51    54    72    58.35000  112.70000
   51    54    57    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    55    56    37.50000  110.70000
   54    55    61    70.00000  112.37300
   54    72    68    58.35000  112.70000
   54    72    73    37.50000  110.70000
   54    72    74    50.00000  109.50000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    37.50000  110.70000
   55    44    45    37.50000  110.70000
   55    44    46    58.35000  112.70000
   55    61    62    60.00000  120.94000
   55    61    71    80.00000  116.47100
   55    61    64    58.35000  112.70000
   61    55    56    45.00000  109.38400
   61    62    63    37.50000  117.20000
   61    62    68    60.00000  120.94000
   61    62    71    15.00000   60.43100
   61    71    62    15.00000   59.14900
   61    64    65    45.00000  109.38400
   61    64    66    45.00000  109.38400
   61    64    67    45.00000  109.38400
   62    68    69    45.00000  109.38400
   62    68    70    45.00000  109.38400
   62    68    72    70.00000  112.37300
   68    62    63    40.00000  115.04500
   68    72    73    37.50000  110.70000
   68    72    74    50.00000  109.50000
   70    68    69    33.00000  107.80000
   72    54    55    58.35000  112.70000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    74    75    55.00000  108.50000
   74    72    73    35.00000  109.50000
   71    61    62    15.00000   60.43100
   71    62    63    50.00000  114.27700
   71    62    68    80.00000  116.47100
   64    61    62    60.00000  120.94000
   64    61    71    80.00000  116.47100
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   57    54    55    58.35000  112.70000
   57    54    72    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    48   0.56750  1.0 1.0
   33    39    46    48  -0.07550 -1.0 2.0
   33    39    46    48   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    48    49   0.15000  1.0 3.0
   39    46    48    50   0.15000  1.0 3.0
   39    46    48    51   0.56750  1.0 1.0
   39    46    48    51  -0.07550 -1.0 2.0
   39    46    48    51   0.20000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    48   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    48  -0.95700  1.0 1.0
   41    39    46    48  -0.18200 -1.0 2.0
   41    39    46    48   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    55  -0.25900  1.0 1.0
   41    43    44    55  -0.47000 -1.0 2.0
   41    43    44    55   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.62750  1.0 1.0
   43    44    46    48  -0.30950 -1.0 2.0
   43    44    46    48   0.27300  1.0 3.0
   43    44    55    54   0.62750  1.0 1.0
   43    44    55    54  -0.30950 -1.0 2.0
   43    44    55    54   0.27300  1.0 3.0
   43    44    55    56   0.23400  1.0 3.0
   43    44    55    61  -0.26800  1.0 1.0
   43    44    55    61   0.69150 -1.0 2.0
   43    44    55    61  -0.48750  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   44    46    48    51   0.56750  1.0 1.0
   44    46    48    51  -0.07550 -1.0 2.0
   44    46    48    51   0.20000  1.0 3.0
   44    55    61    62   0.07850  1.0 1.0
   44    55    61    62  -0.03950 -1.0 2.0
   44    55    61    62   0.67350  1.0 3.0
   44    55    61    71   0.02550  1.0 1.0
   44    55    61    71  -0.02600 -1.0 2.0
   44    55    61    71   1.20400  1.0 3.0
   44    55    61    64   0.56750  1.0 1.0
   44    55    61    64  -0.07550 -1.0 2.0
   44    55    61    64   0.20000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    55    54   0.15000  1.0 3.0
   45    44    55    56   0.15000  1.0 3.0
   45    44    55    61   0.15000  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    55    54   0.56750  1.0 1.0
   46    44    55    54  -0.07550 -1.0 2.0
   46    44    55    54   0.20000  1.0 3.0
   46    44    55    56   0.15000  1.0 3.0
   46    44    55    61   0.47050  1.0 1.0
   46    44    55    61   0.03900 -1.0 2.0
   46    44    55    61   0.20100  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   46    48   -51    54   0.56750  1.0 1.0
   46    48   -51    54  -0.07550 -1.0 2.0
   46    48   -51    54   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   48    51    54    55   0.56750  1.0 1.0
   48    51    54    55  -0.07550 -1.0 2.0
   48    51    54    55   0.20000  1.0 3.0
   48    51    54    72   0.56750  1.0 1.0
   48    51    54    72  -0.07550 -1.0 2.0
   48    51    54    72   0.20000  1.0 3.0
   48    51    54    57   0.56750  1.0 1.0
   48    51    54    57  -0.07550 -1.0 2.0
   48    51    54    57   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    54   -55    44   0.56750  1.0 1.0
   51    54   -55    44  -0.07550 -1.0 2.0
   51    54   -55    44   0.20000  1.0 3.0
   51    54    55    56   0.15000  1.0 3.0
   51    54    55    61   0.47050  1.0 1.0
   51    54    55    61   0.03900 -1.0 2.0
   51    54    55    61   0.20100  1.0 3.0
   51    54    72    68   0.56750  1.0 1.0
   51    54    72    68  -0.07550 -1.0 2.0
   51    54    72    68   0.20000  1.0 3.0
   51    54    72    73   0.15000  1.0 3.0
   51    54    72    74   0.86500  1.0 1.0
   51    54    72    74  -0.17500 -1.0 2.0
   51    54    72    74   0.20800  1.0 3.0
   51    54    57    58   0.15000  1.0 3.0
   51    54    57    59   0.15000  1.0 3.0
   51    54    57    60   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    72   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    72   0.15000  1.0 3.0
   53    51    54    57   0.15000  1.0 3.0
   54    55    61    62   0.07850  1.0 1.0
   54    55    61    62  -0.03950 -1.0 2.0
   54    55    61    62   0.67350  1.0 3.0
   54    55    61    71   0.02550  1.0 1.0
   54    55    61    71  -0.02600 -1.0 2.0
   54    55    61    71   1.20400  1.0 3.0
   54    55    61    64   0.56750  1.0 1.0
   54    55    61    64  -0.07550 -1.0 2.0
   54    55    61    64   0.20000  1.0 3.0
   54    72    74    75  -0.11600  1.0 1.0
   54    72    74    75  -0.09450 -1.0 2.0
   54    72    74    75   0.21250  1.0 3.0
   55    44    46    39   0.56750  1.0 1.0
   55    44    46    39  -0.07550 -1.0 2.0
   55    44    46    39   0.20000  1.0 3.0
   55    44    46    47   0.15000  1.0 3.0
   55    44   -46    48   0.56750  1.0 1.0
   55    44   -46    48  -0.07550 -1.0 2.0
   55    44   -46    48   0.20000  1.0 3.0
   55    54    72    68   0.56750  1.0 1.0
   55    54    72    68  -0.07550 -1.0 2.0
   55    54    72    68   0.20000  1.0 3.0
   55    54    72    73   0.15000  1.0 3.0
   55    54    72    74   0.86500  1.0 1.0
   55    54    72    74  -0.17500 -1.0 2.0
   55    54    72    74   0.20800  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   55    61    62    63   0.15000  1.0 3.0
   55    61   -62    68   0.56750  1.0 1.0
   55    61   -62    68  -0.07550 -1.0 2.0
   55    61   -62    68   0.20000  1.0 3.0
   55    61   -62    71   0.02550  1.0 1.0
   55    61   -62    71  -0.02600 -1.0 2.0
   55    61   -62    71   1.20400  1.0 3.0
   55    61   -71    62   0.06250  1.0 1.0
   55    61   -71    62  -0.01100 -1.0 2.0
   55    61   -71    62   0.28050  1.0 3.0
   55    61    64    65   0.15000  1.0 3.0
   55    61    64    66   0.15000  1.0 3.0
   55    61    64    67   0.15000  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    71   0.23400  1.0 3.0
   56    55    61    64   0.15000  1.0 3.0
   61    62    68    69   0.15000  1.0 3.0
   61    62    68    70   0.15000  1.0 3.0
   61    62    68    72   0.07850  1.0 1.0
   61    62    68    72  -0.03950 -1.0 2.0
   61    62    68    72   0.67350  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    68   -72    54   0.47050  1.0 1.0
   62    68   -72    54   0.03900 -1.0 2.0
   62    68   -72    54   0.20100  1.0 3.0
   62    68    72    73   0.15000  1.0 3.0
   62    68    72    74   0.86500  1.0 1.0
   62    68    72    74  -0.17500 -1.0 2.0
   62    68    72    74   0.20800  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    72   0.15000  1.0 3.0
   63    62   -71    61   0.36800  1.0 3.0
   68    62   -71    61   0.06250  1.0 1.0
   68    62   -71    61  -0.01100 -1.0 2.0
   68    62   -71    61   0.28050  1.0 3.0
   68    72    74    75  -0.11600  1.0 1.0
   68    72    74    75  -0.09450 -1.0 2.0
   68    72    74    75   0.21250  1.0 3.0
   69    68    72    54   0.15000  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.23400  1.0 3.0
   70    68    72    54   0.15000  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    74   0.23400  1.0 3.0
   72    54    55    44   0.56750  1.0 1.0
   72    54    55    44  -0.07550 -1.0 2.0
   72    54    55    44   0.20000  1.0 3.0
   72    54    55    56   0.15000  1.0 3.0
   72    54   -55    61   0.47050  1.0 1.0
   72    54   -55    61   0.03900 -1.0 2.0
   72    54   -55    61   0.20100  1.0 3.0
   72    54    57    58   0.15000  1.0 3.0
   72    54    57    59   0.15000  1.0 3.0
   72    54    57    60   0.15000  1.0 3.0
   73    72    74    75   0.19450  1.0 3.0
   71    61   -62    63   0.23400  1.0 3.0
   71    61   -62    68   0.02550  1.0 1.0
   71    61   -62    68  -0.02600 -1.0 2.0
   71    61   -62    68   1.20400  1.0 3.0
   71    61    64    65   0.23400  1.0 3.0
   71    61    64    66   0.23400  1.0 3.0
   71    61    64    67   0.23400  1.0 3.0
   71    62    68    69   0.23400  1.0 3.0
   71    62    68    70   0.23400  1.0 3.0
   71    62    68    72   0.02550  1.0 1.0
   71    62    68    72  -0.02600 -1.0 2.0
   71    62    68    72   1.20400  1.0 3.0
   64    61    62    63   0.15000  1.0 3.0
   64    61    62    68   0.56750  1.0 1.0
   64    61    62    68  -0.07550 -1.0 2.0
   64    61    62    68   0.20000  1.0 3.0
   64    61   -62    71   0.02550  1.0 1.0
   64    61   -62    71  -0.02600 -1.0 2.0
   64    61   -62    71   1.20400  1.0 3.0
   64    61   -71    62   0.06250  1.0 1.0
   64    61   -71    62  -0.01100 -1.0 2.0
   64    61   -71    62   0.28050  1.0 3.0
   57    54    55    44   0.56750  1.0 1.0
   57    54    55    44  -0.07550 -1.0 2.0
   57    54    55    44   0.20000  1.0 3.0
   57    54    55    56   0.15000  1.0 3.0
   57    54    55    61   0.47050  1.0 1.0
   57    54    55    61   0.03900 -1.0 2.0
   57    54    55    61   0.20100  1.0 3.0
   57    54    72    68   0.56750  1.0 1.0
   57    54    72    68  -0.07550 -1.0 2.0
   57    54    72    68   0.20000  1.0 3.0
   57    54    72    73   0.15000  1.0 3.0
   57    54    72    74   0.86500  1.0 1.0
   57    54    72    74  -0.17500 -1.0 2.0
   57    54    72    74   0.20800  1.0 3.0
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
   39    43    41    42  10.50000 -1.0 2.0
END
