* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    154    239     442
    1     0 S   NP   _N1_     1    29.31608    96.02438   -18.32918
    2     1 S   H    _HN1     2     1.02766    74.05929   -87.99275
    3     1 S   H    _H1_     3     1.02967    87.48915    21.95315
    4     1 S   H    _H2_     4     1.02830    47.46007   137.76720
    5     1 S   CT   _CA1     5     1.50183   156.53446   162.40137
    6     5 S   HC   _HA1     6     1.09557   105.20419    40.06384
    7     5 S   CO3  _C1_     7     1.53912   112.51412   -80.12548
    8     7 S   O2Z  _O11     8     1.26370   114.89314   -34.46699
    9     7 S   O2Z  _O12     9     1.26258   115.10900   144.58909
   10     5 S   CT   _CB1    10     1.53100   107.38789   158.30737
   11    10 S   HC   HB11    11     1.09818   109.65632   -46.45413
   12    10 S   HC   HB12    12     1.09818   110.24079    70.23450
   13    10 S   CT   _CG1    13     1.52934   112.62508  -167.41666
   14    13 S   HC   HG11    14     1.09525   110.45149   -60.54530
   15    13 S   HC   HG12    15     1.09640   110.03949    58.59418
   16    13 S   C    _CD1    16     1.51788   112.38541   179.02884
   17    16 S   O    _OE1    17     1.22689   123.36246    -5.85886
   18    16 S   N    _N2_    18     1.38589   111.45827   174.24217
   19    18 S   H    _HN2    19     1.01592   118.93334     2.43831
   20    18 S   CT1  _CA2    20     1.46099   123.55907  -176.78003
   21    20 S   HC   _HA2    21     1.09718   109.43803   -15.38960
   22    20 S   C    _C2_    22     1.53406   108.00298  -131.20029
   23    22 S   O    _O2_    23     1.23003   122.33040  -144.02492
   24    20 S   CT   _CB2    32     1.53408   111.35979   106.90169
   25    24 S   HC   HB21    33     1.09463   110.02998    55.21969
   26    24 S   HC   HB22    34     1.09531   110.38127   173.08032
   27    22 S   N    _N3_    24     1.38530   113.27034    43.15142
   28    27 S   H    _HN3    25     1.01533   118.92032    -0.44631
   29    24 S   S    _SG2    35     1.82899   112.40382   -68.18281
   30    27 S   CT   _CA3    26     1.45445   123.40879   175.21071
   31    30 S   HC   HA31    27     1.09525   109.21150    24.95717
   32    30 S   HC   HA32    28     1.09494   107.13190   141.95796
   33    29 S   CT   _C20    36     1.82978   100.16106   128.45005
   34    33 S   HC   _H3_    37     1.09152   107.35779    50.90207
   35    33 S   HC   _H4_    38     1.09618   106.69582   164.77085
   36    30 S   CO3  _C3_    29     1.52924   113.11545   -98.49888
   37    36 S   O2Z  _O31    30     1.26402   115.40378   -44.54933
   38    36 S   O2Z  _O32    31     1.26355   114.98580   136.37803
   39    33 S   CT   _C11    39     1.53239   112.82520   -74.07320
   40    39 S   HC   _H29    40     1.09417   113.03780    40.61878
   41    39 S   CO4  _C6_    41     1.51518   110.82109   -81.40218
   42    41 S   O    _O18    42     1.22083   126.43677    45.43602
   43    41 S   OS   _O20    43     1.36517   109.71892  -134.38453
   44    43 S   CT   _C14    44     1.43213   109.54197   -12.57136
   45    44 S   HC   _H32    45     1.09944   106.78017   -83.50493
   46    44 S   CT   _C10    46     1.54031   112.47903   155.98949
   47    46 S   HC   _H28    47     1.09776   109.98640   -71.54925
   48    39 S   CT   _C12    55     1.53801   113.58047   166.01479
   49    48 S   HC   _H30    56     1.10078   107.11741    36.25499
   50    46 S   CM   _C4_    48     1.54501   110.06788   167.39643
   51    50 S   CM   _C5_    49     1.34753   126.72167    58.01506
   52    50 S   CT   _C8_    68     1.52126   109.14929  -121.36810
   53    52 S   HC   _H24    69     1.09531   109.96262   114.11063
   54    52 S   HC   _H25    70     1.09484   111.35009  -124.40660
   55    51 S   CT   _C9_    50     1.50651   122.58348     0.87826
   56    55 S   HC   _H26    51     1.09837   109.69166    62.52230
   57    55 S   HC   _H27    52     1.09824   109.13235   175.69730
   58    51 S   CT   _C17    64     1.50728   123.21441  -179.17789
   59    58 S   HC   _H34    65     1.09540   109.96863   122.01503
   60    58 S   HC   _H35    66     1.09295   113.55710     1.94219
   61    58 S   HC   _H36    67     1.09513   110.05335  -118.56227
   62    52 S   C3T  _C13    71     1.49181   106.89580    -4.49296
   63    62 S   HC   _H31    72     1.07653   117.48212   150.09753
   64    55 S   CT   _C15    53     1.53679   114.06808   -62.07348
   65    64 S   HC   _H33    54     1.09809   111.02491   -43.09351
   66    46 S   C3T  _C16    73     1.52904   115.33740    49.22001
   67    64 S   OS   _O22    57     1.44590   107.26207  -162.40423
   68    62 S   O3T  _O21    74     1.42986   114.78299   -60.36217
   69    66 S   CT   _C19    75     1.48657   124.15098   -34.70472
   70    69 S   HC   _H40    76     1.09612   111.51449  -171.95785
   71    69 S   HC   _H41    77     1.09281   110.78343    69.08672
   72    69 S   HC   _H42    78     1.09419   110.90720   -52.56218
   73    67 S   CO4  _C7_    58     1.36360   117.40216    87.50770
   74    73 S   O    _O19    59     1.22308   126.35447     0.30647
   75    73 S   CT   _C18    60     1.49853   109.56097  -178.78953
   76    75 S   HC   _H37    61     1.09281   110.07327   -54.42887
   77    75 S   HC   _H38    62     1.09375   109.33511  -173.18146
   78    75 S   HC   _H39    63     1.09266   109.71378    67.42025
  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  19   8  11
   4  17  15   9   5   4  10   5   4   4   2   1   1   7   3   5
   2   5   6   4   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    64    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    55    64    65    48    49    67  
   41    42    43    44    64    48    49  
   42    43    44    45    46    64    48    49  
   43    44    48  
   44    45    46    47    50    64    48    49    66  
   45    46    47    50    51    55    64    65    48    49    67    52    62    66    68    69  
   46    47    50    64    48    49    66  
   47    50    51    55    64    48    49    58    52    53    54    62    63    66    68    69    70    71    72  
   50    51    48    52    62    66    68    69  
   49    67    73    66    50    51    55    56    57    64    65  
   67    55    64    65  
   51    55    56    57    64    58    59    60    61    52    53    54    62    63    66    68    69  
   55    56    57    64    65    67    58    59    60    61    52    53    54    62    66  
   53    54    62    63    66    68    69    55    58  
   54    62    63    66    68  
   62    63    66    68  
   56    57    64    65    67    73    58    59    60    61  
   57    64    65    67    58  
   64    65    67    58  
   59    60    61    64  
   60    61  
   61  
    0  
   63    66    68    69    70    71    72  
   66    68    69  
   65    67    73    74    75  
   67    73  
   68    69    70    71    72  
   73    74    75    76    77    78  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   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    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    66   275.000  1.510
   50    51   549.000  1.340
   50    52   317.000  1.510
   51    55   317.000  1.510
   51    58   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    48   268.000  1.529
   64    67   320.000  1.410
   48    49   340.000  1.090
   67    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    62   275.000  1.510
   62    63   340.000  1.088
   62    66   260.000  1.509
   62    68   335.000  1.432
   66    68   335.000  1.432
   66    69   275.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    48    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    48    44    58.35000  112.70000
   39    48    64    58.35000  112.70000
   39    48    49    37.50000  110.70000
   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    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    66    70.00000  112.37300
   44    48    64    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    70.00000  124.00000
   46    50    52    65.00000  117.92700
   46    66    62    60.00000  120.94000
   46    66    68    80.00000  116.47100
   46    66    69    58.35000  112.70000
   50    46    47    35.00000  109.50000
   50    51    55    70.00000  124.00000
   50    51    58    70.00000  124.00000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    62    70.00000  112.02700
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    64    70.00000  112.02700
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   51    58    61    35.00000  109.50000
   55    64    65    37.50000  110.70000
   55    64    48    58.35000  112.70000
   55    64    67    50.00000  109.50000
   57    55    56    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    48    49    37.50000  110.70000
   64    67    73    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    64    65    37.50000  110.70000
   67    64    65    35.00000  109.50000
   67    64    48    50.00000  109.50000
   67    73    74    83.00000  123.40000
   67    73    75    81.00000  111.40000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   58    51    55    65.00000  117.92700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   52    50    51    70.00000  124.00000
   52    62    63    40.00000  115.04500
   52    62    66    60.00000  120.94000
   52    62    68    80.00000  116.47100
   54    52    53    33.00000  107.80000
   62    52    53    45.00000  109.38400
   62    52    54    45.00000  109.38400
   62    66    68    15.00000   60.43100
   62    66    69    60.00000  120.94000
   62    68    66    15.00000   59.14900
   66    46    47    45.00000  109.38400
   66    46    50    70.00000  112.02700
   66    62    63    37.50000  117.20000
   66    69    70    45.00000  109.38400
   66    69    71    45.00000  109.38400
   66    69    72    45.00000  109.38400
   68    62    63    50.00000  114.27700
   68    62    66    15.00000   60.43100
   69    66    68    80.00000  116.47100
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   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    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    64   0.56750  1.0 1.0
   33    39    48    64  -0.07550 -1.0 2.0
   33    39    48    64   0.20000  1.0 3.0
   33    39    48    49   0.15000  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    48   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    48   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
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    64   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    64  -0.95700  1.0 1.0
   41    39    48    64  -0.18200 -1.0 2.0
   41    39    48    64   0.29450  1.0 3.0
   41    39    48    49  -0.11250  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    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    66  -0.26800  1.0 1.0
   43    44    46    66   0.69150 -1.0 2.0
   43    44    46    66  -0.48750  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    64   0.62750  1.0 1.0
   43    44    48    64  -0.30950 -1.0 2.0
   43    44    48    64   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.09850  1.0 1.0
   44    46    50    51   0.15250 -1.0 2.0
   44    46    50    51  -0.50650  1.0 3.0
   44    46    50    52   0.46850  1.0 1.0
   44    46    50    52   0.08550 -1.0 2.0
   44    46    50    52   0.09800  1.0 3.0
   44    46    66    62   0.07850  1.0 1.0
   44    46    66    62  -0.03950 -1.0 2.0
   44    46    66    62   0.67350  1.0 3.0
   44    46    66    68   0.02550  1.0 1.0
   44    46    66    68  -0.02600 -1.0 2.0
   44    46    66    68   1.20400  1.0 3.0
   44    46    66    69   0.56750  1.0 1.0
   44    46    66    69  -0.07550 -1.0 2.0
   44    46    66    69   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    66   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    64   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    64   0.56750  1.0 1.0
   46    44    48    64  -0.07550 -1.0 2.0
   46    44    48    64   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    55   7.00000 -1.0 2.0
   46    50    51    58   7.00000 -1.0 2.0
   46    50    52    53   0.34800  1.0 3.0
   46    50    52    54   0.34800  1.0 3.0
   46    50   -52    62   0.46850  1.0 1.0
   46    50   -52    62   0.08550 -1.0 2.0
   46    50   -52    62   0.09800  1.0 3.0
   46    66   -68    62   0.06250  1.0 1.0
   46    66   -68    62  -0.01100 -1.0 2.0
   46    66   -68    62   0.28050  1.0 3.0
   46    66    69    70   0.15000  1.0 3.0
   46    66    69    71   0.15000  1.0 3.0
   46    66    69    72   0.15000  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.34800  1.0 3.0
   47    46    66    62   0.15000  1.0 3.0
   47    46    66    68   0.23400  1.0 3.0
   47    46    66    69   0.15000  1.0 3.0
   50    46   -66    62   0.34400  1.0 1.0
   50    46   -66    62   0.09450 -1.0 2.0
   50    46   -66    62   0.11100  1.0 3.0
   50    46    66    68   0.61850  1.0 1.0
   50    46    66    68  -0.22750 -1.0 2.0
   50    46    66    68   0.15300  1.0 3.0
   50    46    66    69   0.34400  1.0 1.0
   50    46    66    69   0.09450 -1.0 2.0
   50    46    66    69   0.11100  1.0 3.0
   50    51    55    56   0.00000  1.0 1.0
   50    51    55    57   0.00000  1.0 1.0
   50    51    55    64   0.09850  1.0 1.0
   50    51    55    64   0.15250 -1.0 2.0
   50    51    55    64  -0.50650  1.0 3.0
   50    51    58    59   0.00000  1.0 1.0
   50    51    58    60   0.00000  1.0 1.0
   50    51    58    61   0.00000  1.0 1.0
   50    52    62    63   0.15000  1.0 3.0
   50    52   -62    66   0.34400  1.0 1.0
   50    52   -62    66   0.09450 -1.0 2.0
   50    52   -62    66   0.11100  1.0 3.0
   50    52   -62    68   0.61850  1.0 1.0
   50    52   -62    68  -0.22750 -1.0 2.0
   50    52   -62    68   0.15300  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    62   0.09850  1.0 1.0
   51    50    52    62   0.15250 -1.0 2.0
   51    50    52    62  -0.50650  1.0 3.0
   51    55    64    65   0.15000  1.0 3.0
   51    55    64    48   0.34400  1.0 1.0
   51    55    64    48   0.09450 -1.0 2.0
   51    55    64    48   0.11100  1.0 3.0
   51    55    64    67   0.61850  1.0 1.0
   51    55    64    67  -0.22750 -1.0 2.0
   51    55    64    67   0.15300  1.0 3.0
   55    51    58    59   0.34800  1.0 3.0
   55    51    58    60   0.34800  1.0 3.0
   55    51    58    61   0.34800  1.0 3.0
   55    64    48    39   0.56750  1.0 1.0
   55    64    48    39  -0.07550 -1.0 2.0
   55    64    48    39   0.20000  1.0 3.0
   55    64    48    44   0.56750  1.0 1.0
   55    64    48    44  -0.07550 -1.0 2.0
   55    64    48    44   0.20000  1.0 3.0
   55    64    48    49   0.15000  1.0 3.0
   55    64    67    73  -0.25900  1.0 1.0
   55    64    67    73  -0.47000 -1.0 2.0
   55    64    67    73   0.11750  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    48   0.15000  1.0 3.0
   56    55    64    67   0.23400  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    48   0.15000  1.0 3.0
   57    55    64    67   0.23400  1.0 3.0
   64    67    73    74   3.00000 -1.0 2.0
   64    67    73    75   1.63150  1.0 1.0
   64    67    73    75   2.92000 -1.0 2.0
   65    64    48    39   0.15000  1.0 3.0
   65    64    48    44   0.15000  1.0 3.0
   65    64    48    49   0.15000  1.0 3.0
   65    64    67    73   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44    46    66   0.47050  1.0 1.0
   48    44    46    66   0.03900 -1.0 2.0
   48    44    46    66   0.20100  1.0 3.0
   48    64    67    73  -0.25900  1.0 1.0
   48    64    67    73  -0.47000 -1.0 2.0
   48    64    67    73   0.11750  1.0 3.0
   67    64    48    39   0.62750  1.0 1.0
   67    64    48    39  -0.30950 -1.0 2.0
   67    64    48    39   0.27300  1.0 3.0
   67    64    48    44   0.62750  1.0 1.0
   67    64    48    44  -0.30950 -1.0 2.0
   67    64    48    44   0.27300  1.0 3.0
   67    64    48    49   0.23400  1.0 3.0
   67    73    75    76   0.00000  1.0 1.0
   67    73    75    77   0.00000  1.0 1.0
   67    73    75    78   0.00000  1.0 1.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   58    51    55    56   0.34800  1.0 3.0
   58    51    55    57   0.34800  1.0 3.0
   58    51    55    64   0.46850  1.0 1.0
   58    51    55    64   0.08550 -1.0 2.0
   58    51    55    64   0.09800  1.0 3.0
   52    50    51    55   7.00000 -1.0 2.0
   52    50    51    58   7.00000 -1.0 2.0
   52    62   -66    46   0.56750  1.0 1.0
   52    62   -66    46  -0.07550 -1.0 2.0
   52    62   -66    46   0.20000  1.0 3.0
   52    62   -66    68   0.02550  1.0 1.0
   52    62   -66    68  -0.02600 -1.0 2.0
   52    62   -66    68   1.20400  1.0 3.0
   52    62    66    69   0.56750  1.0 1.0
   52    62    66    69  -0.07550 -1.0 2.0
   52    62    66    69   0.20000  1.0 3.0
   52    62   -68    66   0.06250  1.0 1.0
   52    62   -68    66  -0.01100 -1.0 2.0
   52    62   -68    66   0.28050  1.0 3.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    66   0.15000  1.0 3.0
   53    52    62    68   0.23400  1.0 3.0
   54    52    62    63   0.15000  1.0 3.0
   54    52    62    66   0.15000  1.0 3.0
   54    52    62    68   0.23400  1.0 3.0
   62    66    69    70   0.15000  1.0 3.0
   62    66    69    71   0.15000  1.0 3.0
   62    66    69    72   0.15000  1.0 3.0
   63    62    66    46   0.15000  1.0 3.0
   63    62   -66    68   0.23400  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   63    62   -68    66   0.36800  1.0 3.0
   66    46    50    51   0.09850  1.0 1.0
   66    46    50    51   0.15250 -1.0 2.0
   66    46    50    51  -0.50650  1.0 3.0
   66    46   -50    52   0.46850  1.0 1.0
   66    46   -50    52   0.08550 -1.0 2.0
   66    46   -50    52   0.09800  1.0 3.0
   68    62   -66    46   0.02550  1.0 1.0
   68    62   -66    46  -0.02600 -1.0 2.0
   68    62   -66    46   1.20400  1.0 3.0
   68    62   -66    69   0.02550  1.0 1.0
   68    62   -66    69  -0.02600 -1.0 2.0
   68    62   -66    69   1.20400  1.0 3.0
   68    66    69    70   0.23400  1.0 3.0
   68    66    69    71   0.23400  1.0 3.0
   68    66    69    72   0.23400  1.0 3.0
   69    66   -68    62   0.06250  1.0 1.0
   69    66   -68    62  -0.01100 -1.0 2.0
   69    66   -68    62   0.28050  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
   46    52    50    51   1.10000 -1.0 2.0
   55    58    51    50   1.10000 -1.0 2.0
   67    75    73    74  10.50000 -1.0 2.0
END
