* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    149    248     449
    1     0 S   NP   _N1_     1    28.71119    95.68895   -22.98915
    2     1 S   H    _HN1     2     1.02780   100.99229   -86.84286
    3     1 S   H    _H1_     3     1.02953    77.97443    19.80434
    4     1 S   H    _H2_     4     1.02824    34.34282   167.42033
    5     1 S   CT   _CA1     5     1.50124   139.91924   127.23885
    6     5 S   HC   _HA1     6     1.09575   105.19881    82.11645
    7     5 S   CO3  _C1_     7     1.53790   112.41191   -38.07395
    8     7 S   O2Z  _O11     8     1.26369   115.01098   -43.25379
    9     7 S   O2Z  _O12     9     1.26242   114.94076   135.81377
   10     5 S   CT   _CB1    10     1.53072   107.38874  -159.96816
   11    10 S   HC   HB11    11     1.09830   109.32918   -50.18060
   12    10 S   HC   HB12    12     1.09815   110.45236    66.40197
   13    10 S   CT   _CG1    13     1.52980   112.63820  -171.20873
   14    13 S   HC   HG11    14     1.09590   110.54252   -65.25199
   15    13 S   HC   HG12    15     1.09666   109.87595    53.98578
   16    13 S   C    _CD1    16     1.51803   112.26665   174.34563
   17    16 S   O    _OE1    17     1.22727   123.28986     2.85801
   18    16 S   N    _N2_    18     1.38644   111.62317  -176.94508
   19    18 S   H    _HN2    19     1.01570   118.99335     1.79559
   20    18 S   CT1  _CA2    20     1.46243   123.43842   178.61097
   21    20 S   HC   _HA2    21     1.09739   109.32669     2.67130
   22    20 S   C    _C2_    22     1.53558   108.64439  -112.82678
   23    22 S   O    _O2_    23     1.23052   122.36731  -148.17750
   24    20 S   CT   _CB2    32     1.53427   111.56406   124.51414
   25    24 S   HC   HB21    33     1.09512   109.67933    56.60959
   26    24 S   HC   HB22    34     1.09372   110.01214   175.19727
   27    22 S   N    _N3_    24     1.38367   113.70992    39.30958
   28    27 S   H    _HN3    25     1.01581   119.55769    -3.35859
   29    24 S   S    _SG2    35     1.83398   111.02403   -63.37547
   30    27 S   CT   _CA3    26     1.45277   123.15845   177.07450
   31    30 S   HC   HA31    27     1.09551   107.50767   -64.47151
   32    30 S   HC   HA32    28     1.09558   107.97828    51.94968
   33    29 S   CT   _C12    36     1.92741   101.29647  -160.84510
   34    30 S   CO3  _C3_    29     1.52944   114.12836   173.95081
   35    34 S   O2Z  _O31    30     1.26369   116.08514    -0.70776
   36    34 S   O2Z  _O32    31     1.26433   114.40378   179.35199
   37    33 S   CO4  _C5_    37     1.51790    97.16869   -68.18754
   38    37 S   O    _O18    38     1.21835   128.89233    91.77733
   39    33 S   CT   _C9_    55     1.53953   101.43878    76.37297
   40    39 S   OM   _O16    56     1.31811   112.80742  -148.57974
   41    39 S   HC   _H28    57     1.09903   112.04739   -16.67025
   42    37 S   OS   _O20    39     1.40744   105.85927   -83.05386
   43    42 S   CT   _C11    40     1.45144   109.84044   -30.13746
   44    43 S   HC   _H30    41     1.09565   103.72058  -117.66880
   45    43 S   CT   _C10    42     1.54513   118.99881   125.93886
   46    45 S   HC   _H29    43     1.09390   111.03377    60.66066
   47    45 S   CT   _C8_    44     1.53697   112.37574  -171.69920
   48    47 S   HC   _H27    45     1.10597   106.16333   179.55413
   49    47 S   CT   _C7_    46     1.55413    97.99917    70.59708
   50    49 S   HC   _H26    47     1.09490   110.13802   163.48551
   51    47 S   CT   _C18    65     1.54492   120.28367   -63.09920
   52    49 S   CO4  _C4_    48     1.50386    95.55122    50.16185
   53    52 S   O    _O17    49     1.22021   126.31886   144.72711
   54    49 S   CT   _C14    51     1.55467   115.57897   -67.90036
   55    51 S   CT   _C16    66     1.53597   110.04107   -59.60527
   56    55 S   HC   _H34    67     1.09642   110.90044  -177.86687
   57    55 S   HC   _H35    68     1.09550   111.11078    64.53150
   58    55 S   HC   _H36    69     1.09487   111.76330   -57.05353
   59    51 S   CT   _C17    70     1.53497   110.41423   179.82086
   60    59 S   HC   _H37    71     1.09637   110.92503   177.39113
   61    59 S   HC   _H38    72     1.09470   111.34408   -64.86570
   62    59 S   HC   _H39    73     1.09493   111.65460    56.66820
   63    51 S   OH   _O22    74     1.41580   112.46339    59.29364
   64    63 S   HO   _H41    75     0.97223   108.74219   176.15896
   65    45 S   OS   _O19    50     1.44088   113.27184   -60.26783
   66    54 S   CT   _C6_    52     1.57042   119.60229   162.23165
   67    66 S   HC   _H24    53     1.09824   112.30909   112.07919
   68    66 S   HC   _H25    54     1.09710   108.95688    -5.25322
   69    33 S   CT   _C13    58     1.58343   127.61247  -168.45199
   70    54 S   OH   _O21    63     1.43608   104.75295   -79.56580
   71    70 S   HO   _H40    64     0.97230   107.95249   -67.25531
   72    69 S   CT   _C15    59     1.58674   112.41659   169.57476
   73    72 S   HC   _H31    60     1.09319   113.44017    77.55977
   74    72 S   HC   _H32    61     1.09495   112.89053   -44.92532
   75    72 S   HC   _H33    62     1.09351   111.49547  -164.05528
  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  12   5   4   3
  20   2   1   1  12   4  12   6   5   9  17   7  15   7  21   9
  16   8  13   6   2  11   9   4   3   2   5   3   2   1   1   1
   1   6   3   2   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    69    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    43    54    66    39    40    41    69    72  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    49    54    66    67    68    39    40    41    69    72    73    74    75    70  
   35    36  
   36  
    0  
   38    42    43    44    45    54    66    39    40    41    69    72  
   42    43    39    69  
   40    41    69    72    70    42    43    49    54    66    67    68  
   41    69    54    66    67    68  
   69    54    66    67    68  
   43    44    45    46    47    65    54    69    72  
   44    45    46    47    48    49    52    65    54    66    69    72    73    74    75    70    51  
   45    46    47    65    54    69    72  
   46    47    48    49    50    52    53    65    54    69    72    51    55    59    63  
   47    48    49    52    65    69    51  
   48    49    50    52    53    65    54    66    69    70    51    55    56    57    58    59    60    61    62    63    64  
   49    50    52    65    54    51    55    59    63  
   50    52    53    65    54    66    67    68    69    72    70    71    51    55    59    63  
   52    53    65    54    66    69    70    51  
   55    56    57    58    59    60    61    62    63    64    52    54    65  
   53    65    54    66    69    70  
   65    54  
   66    67    68    69    72    73    74    75    70    71    65  
   56    57    58    59    60    61    62    63    64  
   57    58    59    63  
   58    59    63  
   59    63  
   60    61    62    63    64  
   61    62    63  
   62    63  
   63  
   64  
    0  
   69  
   67    68    69    72    70    71  
   68    69    70  
   69    70  
   72    73    74    75    70    71  
   71    72  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    39   268.000  1.529
   33    69   268.000  1.529
   37    38   570.000  1.229
   37    42   214.000  1.327
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    69   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    65   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   268.000  1.529
   49    50   340.000  1.090
   49    52   317.000  1.522
   49    54   268.000  1.529
   52    53   570.000  1.229
   52    65   214.000  1.327
   54    66   268.000  1.529
   54    69   268.000  1.529
   54    70   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    39   268.000  1.529
   39    40   570.000  1.307
   39    41   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   70    71   553.000  0.945
   51    55   268.000  1.529
   51    59   268.000  1.529
   51    63   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    69    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    81.00000  111.40000
   33    39    66    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    69    43    58.35000  112.70000
   33    69    54    58.35000  112.70000
   33    69    72    58.35000  112.70000
   37    42    43    83.00000  116.90000
   42    37    38    83.00000  123.40000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    69    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    58.35000  112.70000
   43    45    65    50.00000  109.50000
   43    69    54    58.35000  112.70000
   43    69    72    58.35000  112.70000
   45    43    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    49    58.35000  112.70000
   45    47    51    58.35000  112.70000
   45    65    52    83.00000  116.90000
   47    45    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    52    63.00000  111.10000
   47    49    54    58.35000  112.70000
   47    51    55    58.35000  112.70000
   47    51    59    58.35000  112.70000
   47    51    63    50.00000  109.50000
   49    47    48    37.50000  110.70000
   49    52    53    80.00000  120.40000
   49    52    65    81.00000  111.40000
   49    54    66    58.35000  112.70000
   49    54    69    58.35000  112.70000
   49    54    70    50.00000  109.50000
   52    49    50    35.00000  109.50000
   65    45    46    35.00000  109.50000
   65    45    47    50.00000  109.50000
   65    52    53    83.00000  123.40000
   54    49    50    37.50000  110.70000
   54    49    52    63.00000  111.10000
   54    66    67    37.50000  110.70000
   54    66    68    37.50000  110.70000
   54    66    39    58.35000  112.70000
   54    69    72    58.35000  112.70000
   54    70    71    55.00000  108.50000
   66    39    40    50.00000  109.50000
   66    39    41    37.50000  110.70000
   68    66    67    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    66    67    37.50000  110.70000
   39    66    68    37.50000  110.70000
   41    39    40    45.00000  125.66300
   69    33    37    63.00000  111.10000
   69    33    39    58.35000  112.70000
   69    43    44    37.50000  110.70000
   69    43    45    58.35000  112.70000
   69    54    66    58.35000  112.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   70    54    66    50.00000  109.50000
   70    54    69    50.00000  109.50000
   51    47    48    37.50000  110.70000
   51    47    49    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   51    63    64    55.00000  108.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    51    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    51    55    50.00000  109.50000
   63    51    59    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    69   0.01700  1.0 1.0
   24    29    33    69  -0.23550 -1.0 2.0
   24    29    33    69   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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.40000  1.0 3.0
   29    33    39    66   0.44750  1.0 1.0
   29    33    39    66  -0.17800 -1.0 2.0
   29    33    39    66   0.20200  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   0.15000  1.0 3.0
   29    33    69    43   0.44750  1.0 1.0
   29    33    69    43  -0.17800 -1.0 2.0
   29    33    69    43   0.20200  1.0 3.0
   29    33    69    54   0.44750  1.0 1.0
   29    33    69    54  -0.17800 -1.0 2.0
   29    33    69    54   0.20200  1.0 3.0
   29    33    69    72   0.44750  1.0 1.0
   29    33    69    72  -0.17800 -1.0 2.0
   29    33    69    72   0.20200  1.0 3.0
   33    37   -42    43   1.63150  1.0 1.0
   33    37   -42    43   2.92000 -1.0 2.0
   33    69    72    73   0.15000  1.0 3.0
   33    69    72    74   0.15000  1.0 3.0
   33    69    72    75   0.15000  1.0 3.0
   37    33    39    66  -0.95700  1.0 1.0
   37    33    39    66  -0.18200 -1.0 2.0
   37    33    39    66   0.29450  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33   -69    43  -0.95700  1.0 1.0
   37    33   -69    43  -0.18200 -1.0 2.0
   37    33   -69    43   0.29450  1.0 3.0
   37    33    69    54  -0.95700  1.0 1.0
   37    33    69    54  -0.18200 -1.0 2.0
   37    33    69    54   0.29450  1.0 3.0
   37    33    69    72  -0.95700  1.0 1.0
   37    33    69    72  -0.18200 -1.0 2.0
   37    33    69    72   0.29450  1.0 3.0
   37    42    43    44   0.08050  1.0 3.0
   37    42    43    45  -0.25900  1.0 1.0
   37    42    43    45  -0.47000 -1.0 2.0
   37    42    43    45   0.11750  1.0 3.0
   37    42   -43    69  -0.25900  1.0 1.0
   37    42   -43    69  -0.47000 -1.0 2.0
   37    42   -43    69   0.11750  1.0 3.0
   38    37    42    43   3.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.62750  1.0 1.0
   42    43    45    47  -0.30950 -1.0 2.0
   42    43    45    47   0.27300  1.0 3.0
   42    43    45    65   1.11900  1.0 1.0
   42    43    45    65  -1.16350 -1.0 2.0
   42    43    45    65  -0.34150  1.0 3.0
   42    43   -69    33   0.62750  1.0 1.0
   42    43   -69    33  -0.30950 -1.0 2.0
   42    43   -69    33   0.27300  1.0 3.0
   42    43    69    54   0.62750  1.0 1.0
   42    43    69    54  -0.30950 -1.0 2.0
   42    43    69    54   0.27300  1.0 3.0
   42    43    69    72   0.62750  1.0 1.0
   42    43    69    72  -0.30950 -1.0 2.0
   42    43    69    72   0.27300  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    49   0.56750  1.0 1.0
   43    45    47    49  -0.07550 -1.0 2.0
   43    45    47    49   0.20000  1.0 3.0
   43    45    47    51   0.56750  1.0 1.0
   43    45    47    51  -0.07550 -1.0 2.0
   43    45    47    51   0.20000  1.0 3.0
   43    45    65    52  -0.25900  1.0 1.0
   43    45    65    52  -0.47000 -1.0 2.0
   43    45    65    52   0.11750  1.0 3.0
   43    69    72    73   0.15000  1.0 3.0
   43    69    72    74   0.15000  1.0 3.0
   43    69    72    75   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    65   0.23400  1.0 3.0
   44    43    69    33   0.15000  1.0 3.0
   44    43    69    54   0.15000  1.0 3.0
   44    43    69    72   0.15000  1.0 3.0
   45    43    69    33   0.56750  1.0 1.0
   45    43    69    33  -0.07550 -1.0 2.0
   45    43    69    33   0.20000  1.0 3.0
   45    43    69    54   0.56750  1.0 1.0
   45    43    69    54  -0.07550 -1.0 2.0
   45    43    69    54   0.20000  1.0 3.0
   45    43    69    72   0.56750  1.0 1.0
   45    43    69    72  -0.07550 -1.0 2.0
   45    43    69    72   0.20000  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47   -49    52  -0.95700  1.0 1.0
   45    47   -49    52  -0.18200 -1.0 2.0
   45    47   -49    52   0.29450  1.0 3.0
   45    47   -49    54   0.56750  1.0 1.0
   45    47   -49    54  -0.07550 -1.0 2.0
   45    47   -49    54   0.20000  1.0 3.0
   45    47    51    55   0.56750  1.0 1.0
   45    47    51    55  -0.07550 -1.0 2.0
   45    47    51    55   0.20000  1.0 3.0
   45    47    51    59   0.56750  1.0 1.0
   45    47    51    59  -0.07550 -1.0 2.0
   45    47    51    59   0.20000  1.0 3.0
   45    47    51    63   0.86500  1.0 1.0
   45    47    51    63  -0.17500 -1.0 2.0
   45    47    51    63   0.20800  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   46    45    65    52   0.08050  1.0 3.0
   47    45   -65    52  -0.25900  1.0 1.0
   47    45   -65    52  -0.47000 -1.0 2.0
   47    45   -65    52   0.11750  1.0 3.0
   47    49    52    53   0.30150 -1.0 2.0
   47    49   -52    65   0.36750  1.0 3.0
   47    49    54    66   0.56750  1.0 1.0
   47    49    54    66  -0.07550 -1.0 2.0
   47    49    54    66   0.20000  1.0 3.0
   47    49    54    69   0.56750  1.0 1.0
   47    49    54    69  -0.07550 -1.0 2.0
   47    49    54    69   0.20000  1.0 3.0
   47    49    54    70   0.86500  1.0 1.0
   47    49    54    70  -0.17500 -1.0 2.0
   47    49    54    70   0.20800  1.0 3.0
   47    51    55    56   0.15000  1.0 3.0
   47    51    55    57   0.15000  1.0 3.0
   47    51    55    58   0.15000  1.0 3.0
   47    51    59    60   0.15000  1.0 3.0
   47    51    59    61   0.15000  1.0 3.0
   47    51    59    62   0.15000  1.0 3.0
   47    51    63    64  -0.11600  1.0 1.0
   47    51    63    64  -0.09450 -1.0 2.0
   47    51    63    64   0.21250  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52  -0.11250  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    51    55   0.15000  1.0 3.0
   48    47    51    59   0.15000  1.0 3.0
   48    47    51    63   0.23400  1.0 3.0
   49    47    51    55   0.56750  1.0 1.0
   49    47    51    55  -0.07550 -1.0 2.0
   49    47    51    55   0.20000  1.0 3.0
   49    47    51    59   0.56750  1.0 1.0
   49    47    51    59  -0.07550 -1.0 2.0
   49    47    51    59   0.20000  1.0 3.0
   49    47    51    63   0.86500  1.0 1.0
   49    47    51    63  -0.17500 -1.0 2.0
   49    47    51    63   0.20800  1.0 3.0
   49    52   -65    45   1.63150  1.0 1.0
   49    52   -65    45   2.92000 -1.0 2.0
   49    54    66    67   0.15000  1.0 3.0
   49    54    66    68   0.15000  1.0 3.0
   49    54    66    39   0.56750  1.0 1.0
   49    54    66    39  -0.07550 -1.0 2.0
   49    54    66    39   0.20000  1.0 3.0
   49    54    69    33   0.56750  1.0 1.0
   49    54    69    33  -0.07550 -1.0 2.0
   49    54    69    33   0.20000  1.0 3.0
   49    54   -69    43   0.56750  1.0 1.0
   49    54   -69    43  -0.07550 -1.0 2.0
   49    54   -69    43   0.20000  1.0 3.0
   49    54    69    72   0.56750  1.0 1.0
   49    54    69    72  -0.07550 -1.0 2.0
   49    54    69    72   0.20000  1.0 3.0
   49    54    70    71  -0.11600  1.0 1.0
   49    54    70    71  -0.09450 -1.0 2.0
   49    54    70    71   0.21250  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    65   0.00000  1.0 1.0
   50    49    54    66   0.15000  1.0 3.0
   50    49    54    69   0.15000  1.0 3.0
   50    49    54    70   0.23400  1.0 3.0
   52    49    54    66  -0.95700  1.0 1.0
   52    49    54    66  -0.18200 -1.0 2.0
   52    49    54    66   0.29450  1.0 3.0
   52    49    54    69  -0.95700  1.0 1.0
   52    49    54    69  -0.18200 -1.0 2.0
   52    49    54    69   0.29450  1.0 3.0
   52    49    54    70  -0.09450  1.0 1.0
   52    49    54    70  -1.12950 -1.0 2.0
   52    49    54    70   0.54000  1.0 3.0
   53    52    65    45   3.00000 -1.0 2.0
   65    45    47    48   0.23400  1.0 3.0
   65    45   -47    49   0.62750  1.0 1.0
   65    45   -47    49  -0.30950 -1.0 2.0
   65    45   -47    49   0.27300  1.0 3.0
   65    45    47    51   0.62750  1.0 1.0
   65    45    47    51  -0.30950 -1.0 2.0
   65    45    47    51   0.27300  1.0 3.0
   54    49    52    53   0.30150 -1.0 2.0
   54    49    52    65   0.36750  1.0 3.0
   54    66   -39    33   0.56750  1.0 1.0
   54    66   -39    33  -0.07550 -1.0 2.0
   54    66   -39    33   0.20000  1.0 3.0
   54    66    39    40   0.62750  1.0 1.0
   54    66    39    40  -0.30950 -1.0 2.0
   54    66    39    40   0.27300  1.0 3.0
   54    66    39    41   0.15000  1.0 3.0
   54    69    72    73   0.15000  1.0 3.0
   54    69    72    74   0.15000  1.0 3.0
   54    69    72    75   0.15000  1.0 3.0
   66    54   -69    33   0.56750  1.0 1.0
   66    54   -69    33  -0.07550 -1.0 2.0
   66    54   -69    33   0.20000  1.0 3.0
   66    54    69    43   0.56750  1.0 1.0
   66    54    69    43  -0.07550 -1.0 2.0
   66    54    69    43   0.20000  1.0 3.0
   66    54    69    72   0.56750  1.0 1.0
   66    54    69    72  -0.07550 -1.0 2.0
   66    54    69    72   0.20000  1.0 3.0
   66    54    70    71  -0.11600  1.0 1.0
   66    54    70    71  -0.09450 -1.0 2.0
   66    54    70    71   0.21250  1.0 3.0
   67    66    39    33   0.15000  1.0 3.0
   67    66    39    40   0.23400  1.0 3.0
   67    66    39    41   0.15000  1.0 3.0
   68    66    39    33   0.15000  1.0 3.0
   68    66    39    40   0.23400  1.0 3.0
   68    66    39    41   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.36750  1.0 3.0
   39    33    69    43   0.56750  1.0 1.0
   39    33    69    43  -0.07550 -1.0 2.0
   39    33    69    43   0.20000  1.0 3.0
   39    33   -69    54   0.56750  1.0 1.0
   39    33   -69    54  -0.07550 -1.0 2.0
   39    33   -69    54   0.20000  1.0 3.0
   39    33    69    72   0.56750  1.0 1.0
   39    33    69    72  -0.07550 -1.0 2.0
   39    33    69    72   0.20000  1.0 3.0
   69    33    37    38   0.30150 -1.0 2.0
   69    33   -37    42   0.36750  1.0 3.0
   69    33   -39    66   0.56750  1.0 1.0
   69    33   -39    66  -0.07550 -1.0 2.0
   69    33   -39    66   0.20000  1.0 3.0
   69    33    39    40   0.62750  1.0 1.0
   69    33    39    40  -0.30950 -1.0 2.0
   69    33    39    40   0.27300  1.0 3.0
   69    33    39    41   0.15000  1.0 3.0
   69    43    45    46   0.15000  1.0 3.0
   69    43   -45    47   0.56750  1.0 1.0
   69    43   -45    47  -0.07550 -1.0 2.0
   69    43   -45    47   0.20000  1.0 3.0
   69    43    45    65   0.62750  1.0 1.0
   69    43    45    65  -0.30950 -1.0 2.0
   69    43    45    65   0.27300  1.0 3.0
   69    54    66    67   0.15000  1.0 3.0
   69    54    66    68   0.15000  1.0 3.0
   69    54   -66    39   0.56750  1.0 1.0
   69    54   -66    39  -0.07550 -1.0 2.0
   69    54   -66    39   0.20000  1.0 3.0
   69    54    70    71  -0.11600  1.0 1.0
   69    54    70    71  -0.09450 -1.0 2.0
   69    54    70    71   0.21250  1.0 3.0
   70    54    66    67   0.23400  1.0 3.0
   70    54    66    68   0.23400  1.0 3.0
   70    54    66    39   0.86500  1.0 1.0
   70    54    66    39  -0.17500 -1.0 2.0
   70    54    66    39   0.20800  1.0 3.0
   70    54    69    33   0.86500  1.0 1.0
   70    54    69    33  -0.17500 -1.0 2.0
   70    54    69    33   0.20800  1.0 3.0
   70    54    69    43   0.86500  1.0 1.0
   70    54    69    43  -0.17500 -1.0 2.0
   70    54    69    43   0.20800  1.0 3.0
   70    54    69    72   0.86500  1.0 1.0
   70    54    69    72  -0.17500 -1.0 2.0
   70    54    69    72   0.20800  1.0 3.0
   51    47    49    50   0.15000  1.0 3.0
   51    47    49    52  -0.95700  1.0 1.0
   51    47    49    52  -0.18200 -1.0 2.0
   51    47    49    52   0.29450  1.0 3.0
   51    47    49    54   0.56750  1.0 1.0
   51    47    49    54  -0.07550 -1.0 2.0
   51    47    49    54   0.20000  1.0 3.0
   55    51    59    60   0.15000  1.0 3.0
   55    51    59    61   0.15000  1.0 3.0
   55    51    59    62   0.15000  1.0 3.0
   55    51    63    64  -0.11600  1.0 1.0
   55    51    63    64  -0.09450 -1.0 2.0
   55    51    63    64   0.21250  1.0 3.0
   59    51    55    56   0.15000  1.0 3.0
   59    51    55    57   0.15000  1.0 3.0
   59    51    55    58   0.15000  1.0 3.0
   59    51    63    64  -0.11600  1.0 1.0
   59    51    63    64  -0.09450 -1.0 2.0
   59    51    63    64   0.21250  1.0 3.0
   63    51    55    56   0.23400  1.0 3.0
   63    51    55    57   0.23400  1.0 3.0
   63    51    55    58   0.23400  1.0 3.0
   63    51    59    60   0.23400  1.0 3.0
   63    51    59    61   0.23400  1.0 3.0
   63    51    59    62   0.23400  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
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   49    65    52    53  10.50000 -1.0 2.0
END
