* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    146    228     420
    1     0 S   NP   _N1_     1    27.90646    92.84429   -21.97374
    2     1 S   H    _HN1     2     1.02814    89.44965  -109.07150
    3     1 S   H    _H1_     3     1.02941    97.85572    -0.78160
    4     1 S   H    _H2_     4     1.02855    25.02946   113.28053
    5     1 S   CT   _CA1     5     1.50065   135.15249   129.31655
    6     5 S   HC   _HA1     6     1.09568   105.27071    52.19450
    7     5 S   CO3  _C1_     7     1.53741   112.46926   -68.18897
    8     7 S   O2Z  _O11     8     1.26477   115.36597   -46.37134
    9     7 S   O2Z  _O12     9     1.26206   115.11806   133.46678
   10     5 S   CT   _CB1    10     1.53152   107.50268   170.19364
   11    10 S   HC   HB11    11     1.09822   109.56194   -49.60470
   12    10 S   HC   HB12    12     1.09821   110.30743    66.98438
   13    10 S   CT   _CG1    13     1.53060   112.63497  -170.64260
   14    13 S   HC   HG11    14     1.09612   110.43960   -59.98990
   15    13 S   HC   HG12    15     1.09635   110.01470    59.19585
   16    13 S   C    _CD1    16     1.51860   112.31614   179.75934
   17    16 S   O    _OE1    17     1.22734   123.25017    -3.85336
   18    16 S   N    _N2_    18     1.38493   111.63957   175.69134
   19    18 S   H    _HN2    19     1.01555   119.10210     6.26776
   20    18 S   CT1  _CA2    20     1.45989   123.20678  -178.38105
   21    20 S   HC   _HA2    21     1.09729   109.00809    17.97479
   22    20 S   C    _C2_    22     1.52834   107.20397   -99.23243
   23    22 S   O    _O2_    23     1.22958   122.90800   -25.44702
   24    20 S   CT   _CB2    32     1.53534   111.83715   140.72512
   25    24 S   HC   HB21    33     1.09315   109.15679    57.64288
   26    24 S   HC   HB22    34     1.09392   110.01204   176.52498
   27    22 S   N    _N3_    24     1.38612   112.43777   157.29293
   28    27 S   H    _HN3    25     1.01514   119.70946     1.17236
   29    24 S   S    _SG2    35     1.82597   110.03611   -63.22125
   30    27 S   CT   _CA3    26     1.45438   122.72707   175.78815
   31    30 S   HC   HA31    27     1.09546   108.82598    32.73167
   32    30 S   HC   HA32    28     1.09478   107.22802   149.79489
   33    29 S   CT   _C18    36     1.88517   103.04827   174.84375
   34    30 S   CO3  _C3_    29     1.53034   113.54173   -90.27794
   35    34 S   O2Z  _O31    30     1.26373   115.73524   -34.97887
   36    34 S   O2Z  _O32    31     1.26395   114.76320   145.89652
   37    33 S   CM   _C14    37     1.54382   105.20841   179.64834
   38    33 S   CT   _C19    75     1.53959   109.00985    60.05872
   39    38 S   HC   _H19    76     1.09569   111.80905   -69.96069
   40    38 S   HC   _H20    77     1.09688   110.70050   171.53991
   41    38 S   HC   _H21    78     1.09582   112.66265    51.16866
   42    37 S   N4   _N6_    38     1.36265   118.33527    87.79317
   43    37 S   CMA  _C15    72     1.52756   120.84269   -81.42821
   44    43 S   OM   _O3_    73     1.26345   119.64684  -102.23328
   45    43 S   OM   _O4_    74     1.26288   121.54812    78.46832
   46    42 S   C4   _C13    39     1.35236   137.41407  -157.41728
   47    46 S   O    _O33    40     1.20825   134.71181    -1.34785
   48    42 S   C4T  _C17    43     1.45185   125.45828    34.84038
   49    48 S   HC   _H18    44     1.09794   111.86271    75.15494
   50    46 S   C4T  _C12    41     1.57009    89.07265   173.76033
   51    50 S   HC   _H15    42     1.09452   114.26317   128.94931
   52    48 S   S    _S1_    45     1.80724   111.76993   -53.15217
   53    33 S   CT   _C16    46     1.55291   110.90656   -58.54083
   54    53 S   HC   _H16    47     1.09344   112.17919    59.58504
   55    53 S   HC   _H17    48     1.09792   109.67642   176.49022
   56    50 S   N    _N5_    49     1.48235   113.35277  -100.88774
   57    56 S   H    _H14    50     1.01768   118.07350   104.30449
   58    56 S   C    _C5_    51     1.38529   123.02379   -72.14357
   59    58 S   O    _O1_    52     1.22941   124.59990    -4.94681
   60    58 S   CT1  _C4_    53     1.52686   112.99276   172.99252
   61    60 S   HC   _H6_    54     1.09512   110.77361    -0.92915
   62    60 S   NP   _N4_    55     1.49577   108.09425  -114.20612
   63    62 S   H    _H3_    56     1.02864   111.16416    60.29750
   64    62 S   H    _H4_    57     1.02775   112.12483   -59.82497
   65    62 S   H    _H5_    58     1.03330   110.83229   178.88460
   66    60 S   CM   _C9_    59     1.51371   109.17283   119.33380
   67    66 S   CM   _C8_    60     1.34791   124.22345   101.23693
   68    67 S   HC   _H9_    61     1.08572   120.75621    -1.10464
   69    67 S   CT   _C10    62     1.50266   124.11986   179.24515
   70    69 S   HC   _H10    63     1.09592   108.72614  -121.93310
   71    69 S   HC   _H11    64     1.09589   108.75941   121.34143
   72    69 S   CM   _C6_    65     1.49709   114.02917    -0.32805
   73    72 S   HC   _H7_    66     1.08617   117.66443  -179.84051
   74    72 S   CM   _C7_    67     1.33920   122.88990     0.09891
   75    74 S   HC   _H8_    68     1.08637   119.30522  -179.91844
   76    66 S   CT   _C11    69     1.51770   114.71373   -79.84257
   77    76 S   HC   _H12    70     1.09641   109.18437    59.45134
   78    76 S   HC   _H13    71     1.09643   109.06343   -57.76216
  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
  15   2   1   1  17   9   3   2   1  12   5   1   1   9   4  10
   5   8   4   4   2   1   1   7   3  10   4  13   7   6   3   2
   1  11  10   5   7   4   3   6   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    52    53    54    55    43    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    46    48    52    53    54    55    43    44    45    38    39    40    41  
   35    36  
   36  
    0  
   42    46    47    50    48    49    52    53    54    55    43    44    45    38    39    40    41  
   39    40    41    42    43    52    53    54    55  
   40    41    53  
   41    53  
   53  
   46    47    50    51    48    49    52    53    56    43    44    45  
   44    45    46    48    53  
   45  
    0  
   47    50    51    48    49    52    56    57    58  
   50    51    48    56  
   49    52    53    54    55    56    57    58    50    51  
   52    53    56    50    51  
   51    52    53    56    57    58    59    60  
   52    56    57    58  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    59    60    61    62    66  
   58    59    60  
   59    60    61    62    63    64    65    66    67    76  
   60    61    62    66  
   61    62    63    64    65    66    67    68    69    74    76    77    78  
   62    63    64    65    66    67    76  
   63    64    65    66    67    76  
   64    65    66  
   65    66  
   66  
   67    68    69    70    71    72    74    75    76    77    78  
   68    69    70    71    72    73    74    76    77    78  
   69    70    71    72    76  
   70    71    72    73    74    75    76  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78  
   74    75    76  
   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   0.167500   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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   53   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   63   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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  1.510
   33    53   268.000  1.529
   33    38   268.000  1.529
   37    42   400.000  1.384
   37    43   465.000  1.376
   42    46   440.000  1.369
   42    48   305.000  1.456
   46    47   930.000  1.212
   46    50   250.000  1.540
   50    51   340.000  1.090
   50    48   268.000  1.529
   50    56   337.000  1.449
   48    49   340.000  1.090
   48    52   200.000  1.824
   52    53   222.000  1.810
   53    54   340.000  1.090
   53    55   340.000  1.090
   56    57   434.000  1.010
   56    58   490.000  1.335
   58    59   570.000  1.229
   58    60   317.000  1.522
   60    61   340.000  1.090
   60    62   367.000  1.471
   60    66   317.000  1.510
   62    63   434.000  1.010
   62    64   434.000  1.010
   62    65   434.000  1.010
   66    67   549.000  1.340
   66    76   317.000  1.510
   67    68   340.000  1.080
   67    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.510
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   340.000  1.080
   74    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   43    44   745.000  1.250
   43    45   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    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  112.20000
   29    33    53    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  113.82800
   33    37    43    70.00000  124.00000
   33    53    52    75.00000  111.63000
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    46    50.00000  132.10000
   37    42    48    50.00000  132.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  137.10300
   42    46    47    75.00000  131.60000
   42    46    50    95.00000   92.72400
   42    48    50   105.00000   87.49700
   42    48    49    50.00000  112.01000
   42    48    52    80.00000  108.62000
   46    50    51    40.00000  113.37500
   46    50    48   100.00000   86.36000
   46    50    56    75.00000  110.24000
   50    46    47    60.00000  136.58000
   50    48    49    37.50000  110.70000
   50    48    52    65.00000  119.05700
   50    56    57    38.00000  118.40000
   50    56    58    50.00000  121.90000
   48    42    46   100.00000   93.00000
   48    50    51    37.50000  110.70000
   48    52    53    85.00000   99.86700
   52    48    49    45.00000  109.41400
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   53    33    37    70.00000  112.02700
   55    53    54    33.00000  107.80000
   56    50    51    50.00000  112.01000
   56    50    48    80.00000  110.05700
   56    58    59    80.00000  122.90000
   56    58    60    70.00000  116.60000
   58    56    57    35.00000  119.80000
   58    60    61    35.00000  109.50000
   58    60    62    80.00000  111.20000
   58    60    66    70.00000  115.00700
   60    58    59    80.00000  120.40000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   60    66    67    70.00000  124.00000
   60    66    76    65.00000  117.92700
   62    60    61    35.00000  109.50000
   64    62    63    35.00000  109.50000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   66    60    61    35.00000  109.50000
   66    60    62    75.00000  110.06800
   66    67    68    35.00000  120.00000
   66    67    69    70.00000  124.00000
   66    76    74    70.00000  110.12100
   66    76    77    35.00000  109.50000
   66    76    78    35.00000  109.50000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    70.00000  110.12100
   69    67    68    35.00000  117.00000
   69    72    73    35.00000  117.00000
   69    72    74    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    74    75    35.00000  120.00000
   72    74    76    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   76    66    67    70.00000  124.00000
   76    74    75    35.00000  117.00000
   78    76    77    33.00000  107.80000
   43    37    42    75.00000  120.83300
   45    43    44    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    53    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    53    52   0.56750  1.0 1.0
   29    33    53    52  -0.07550 -1.0 2.0
   29    33    53    52   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    46   0.00000  1.0 1.0
   33    37    42    48   0.00000  1.0 1.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    45   7.00000 -1.0 2.0
   37    33    53    52   0.56750  1.0 1.0
   37    33    53    52  -0.07550 -1.0 2.0
   37    33    53    52   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    47   3.00000 -1.0 2.0
   37    42    46    50   3.00000 -1.0 2.0
   37    42   -48    50   0.00000  1.0 1.0
   37    42    48    49   0.00000  1.0 1.0
   37    42   -48    52   0.00000  1.0 1.0
   42    37    43    44   7.00000 -1.0 2.0
   42    37    43    45   7.00000 -1.0 2.0
   42    46    50    51   0.00000  1.0 1.0
   42    46   -50    48   3.00000 -1.0 2.0
   42    46    50    56   0.00000  1.0 1.0
   42    48    52    53   0.01700  1.0 1.0
   42    48    52    53  -0.23550 -1.0 2.0
   42    48    52    53   0.21350  1.0 3.0
   46    42   -48    50   0.00000  1.0 1.0
   46    42    48    49   0.00000  1.0 1.0
   46    42    48    52   0.00000  1.0 1.0
   46    50   -48    42   3.00000 -1.0 2.0
   46    50   -48    49   0.15000  1.0 3.0
   46    50   -48    52   0.00000  1.0 1.0
   46    50    56    57   0.00000  1.0 1.0
   46    50    56    58  -0.42300  1.0 1.0
   46    50    56    58  -0.07000 -1.0 2.0
   46    50    56    58   0.04150  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    48  -0.11250  1.0 1.0
   47    46    50    48   0.11400 -1.0 2.0
   47    46    50    48  -0.28950  1.0 3.0
   47    46    50    56   0.30150 -1.0 2.0
   50    48    52    53   0.25150  1.0 1.0
   50    48    52    53  -1.17200 -1.0 2.0
   50    48    52    53   0.53050  1.0 3.0
   50    56    58    59   3.04450 -1.0 2.0
   50    56    58    60   1.15000  1.0 1.0
   50    56    58    60   3.04450 -1.0 2.0
   51    50   -48    42   0.15000  1.0 3.0
   51    50    48    49   0.15000  1.0 3.0
   51    50    48    52   0.00000  1.0 1.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    58   0.00000  1.0 1.0
   48    42   -46    47   3.00000 -1.0 2.0
   48    42   -46    50   3.00000 -1.0 2.0
   48    50    56    57   0.00000  1.0 1.0
   48    50    56    58  -0.43950  1.0 1.0
   48    50    56    58  -0.08100 -1.0 2.0
   48    50    56    58   0.03350  1.0 3.0
   48    52   -53    33  -0.25000 -1.0 2.0
   48    52   -53    33  -0.01800  1.0 3.0
   48    52    53    54   0.32350  1.0 3.0
   48    52    53    55   0.32350  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   53    33   -37    42  -0.93550  1.0 1.0
   53    33   -37    42   0.38900 -1.0 2.0
   53    33   -37    42   0.16950  1.0 3.0
   53    33    37    43   0.09850  1.0 1.0
   53    33    37    43   0.15250 -1.0 2.0
   53    33    37    43  -0.50650  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33    38    41   0.15000  1.0 3.0
   56    50   -48    42   2.20050  1.0 1.0
   56    50   -48    42   0.63450 -1.0 2.0
   56    50   -48    42  -0.91300  1.0 3.0
   56    50    48    49   0.15000  1.0 3.0
   56    50    48    52   0.00000  1.0 1.0
   56    58    60    61   0.00000  1.0 1.0
   56    58    60    62   0.37150  1.0 1.0
   56    58    60    62   1.25400 -1.0 2.0
   56    58    60    62  -0.40250  1.0 3.0
   56    58    60    66   0.00000  1.0 1.0
   57    56    58    59   2.45000 -1.0 2.0
   57    56    58    60   2.45000 -1.0 2.0
   58    60    62    63   0.17350  1.0 3.0
   58    60    62    64   0.17350  1.0 3.0
   58    60    62    65   0.17350  1.0 3.0
   58    60    66    67  -0.51250  1.0 1.0
   58    60    66    67  -0.88800 -1.0 2.0
   58    60    66    67   0.08850  1.0 3.0
   58    60    66    76   0.17250  1.0 1.0
   58    60    66    76  -0.04100 -1.0 2.0
   58    60    66    76  -0.33850  1.0 3.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.00000  1.0 1.0
   59    58    60    66   0.30150 -1.0 2.0
   60    66    67    68   7.00000 -1.0 2.0
   60    66    67    69   7.00000 -1.0 2.0
   60    66    76    74   0.09700  1.0 1.0
   60    66    76    74   0.15600 -1.0 2.0
   60    66    76    74  -0.50800  1.0 3.0
   60    66    76    77   0.34800  1.0 3.0
   60    66    76    78   0.34800  1.0 3.0
   61    60    62    63   0.13050  1.0 3.0
   61    60    62    64   0.13050  1.0 3.0
   61    60    62    65   0.13050  1.0 3.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    76   0.34800  1.0 3.0
   62    60    66    67   0.80850  1.0 1.0
   62    60    66    67  -0.47300 -1.0 2.0
   62    60    66    67  -0.52300  1.0 3.0
   62    60    66    76   0.52100  1.0 1.0
   62    60    66    76  -0.20350 -1.0 2.0
   62    60    66    76   0.29750  1.0 3.0
   66    60    62    63   0.17350  1.0 3.0
   66    60    62    64   0.17350  1.0 3.0
   66    60    62    65   0.17350  1.0 3.0
   66    67    69    70   0.00000  1.0 1.0
   66    67    69    71   0.00000  1.0 1.0
   66    67    69    72  -0.28300  1.0 1.0
   66    67    69    72   0.26700 -1.0 2.0
   66    67    69    72  -0.63300  1.0 3.0
   67    66    76    74  -0.28300  1.0 1.0
   67    66    76    74   0.26700 -1.0 2.0
   67    66    76    74  -0.63300  1.0 3.0
   67    66    76    77   0.00000  1.0 1.0
   67    66    76    78   0.00000  1.0 1.0
   67    69    72    73   0.00000  1.0 1.0
   67    69   -72    74  -0.28300  1.0 1.0
   67    69   -72    74   0.26700 -1.0 2.0
   67    69   -72    74  -0.63300  1.0 3.0
   68    67    69    70   0.33100  1.0 3.0
   68    67    69    71   0.33100  1.0 3.0
   68    67    69    72   0.00000  1.0 1.0
   69    72    74    75   7.00000 -1.0 2.0
   69    72    74    76   7.00000 -1.0 2.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.33100  1.0 3.0
   71    69    72    74   0.00000  1.0 1.0
   72    74   -76    66  -0.28300  1.0 1.0
   72    74   -76    66   0.26700 -1.0 2.0
   72    74   -76    66  -0.63300  1.0 3.0
   72    74    76    77   0.00000  1.0 1.0
   72    74    76    78   0.00000  1.0 1.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    76   7.00000 -1.0 2.0
   75    74    76    66   0.00000  1.0 1.0
   75    74    76    77   0.33100  1.0 3.0
   75    74    76    78   0.33100  1.0 3.0
   76    66    67    68   7.00000 -1.0 2.0
   76    66   -67    69   7.00000 -1.0 2.0
   43    37    42    46   0.00000  1.0 1.0
   43    37    42    48   0.00000  1.0 1.0
   38    33    37    42  -0.93550  1.0 1.0
   38    33    37    42   0.38900 -1.0 2.0
   38    33    37    42   0.16950  1.0 3.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    53    52   0.44750  1.0 1.0
   38    33    53    52  -0.17800 -1.0 2.0
   38    33    53    52   0.20200  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    55   0.15000  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    43   1.10000 -1.0 2.0
   48    46    42    37   1.00000 -1.0 2.0
   42    50    46    47  10.50000 -1.0 2.0
   57    58    56    50   1.00000 -1.0 2.0
   56    60    58    59  10.50000 -1.0 2.0
   60    76    66    67   1.10000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   69    73    72    74   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   44    45    43    37   1.10000 -1.0 2.0
END
