* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    143    202     407
    1     0 S   NP   _N1_     1    29.16400    96.70351   -19.18860
    2     1 S   H    _HN1     2     1.02782    84.32104   -87.68547
    3     1 S   H    _H1_     3     1.02943    75.58466    23.02740
    4     1 S   H    _H2_     4     1.02831    48.38115   152.20080
    5     1 S   CT   _CA1     5     1.50155   157.99451   131.96154
    6     5 S   HC   _HA1     6     1.09572   105.10045    75.27869
    7     5 S   CO3  _C1_     7     1.53784   112.62856   -44.72272
    8     7 S   O2Z  _O11     8     1.26384   114.99475   -35.86627
    9     7 S   O2Z  _O12     9     1.26228   115.00684   143.32129
   10     5 S   CT   _CB1    10     1.53122   107.40996  -166.70466
   11    10 S   HC   HB11    11     1.09827   109.28952   -48.14383
   12    10 S   HC   HB12    12     1.09814   110.45193    68.49632
   13    10 S   CT   _CG1    13     1.52988   112.68197  -169.12091
   14    13 S   HC   HG11    14     1.09538   110.56912   -68.13204
   15    13 S   HC   HG12    15     1.09681   109.75197    50.96319
   16    13 S   C    _CD1    16     1.51899   112.36239   171.25133
   17    16 S   O    _OE1    17     1.22713   123.30093     7.35759
   18    16 S   N    _N2_    18     1.38601   111.55873  -172.53087
   19    18 S   H    _HN2    19     1.01590   118.82542     0.47437
   20    18 S   CT1  _CA2    20     1.46174   123.75454   176.30170
   21    20 S   HC   _HA2    21     1.09743   109.33048    -2.81703
   22    20 S   C    _C2_    22     1.53601   108.16650  -117.80515
   23    22 S   O    _O2_    23     1.23030   122.46010  -149.05178
   24    20 S   CT   _CB2    32     1.53399   111.73213   119.60741
   25    24 S   HC   HB21    33     1.09264   110.45138    54.67481
   26    24 S   HC   HB22    34     1.09548   110.05227   172.10658
   27    22 S   N    _N3_    24     1.38395   113.54307    38.56777
   28    27 S   H    _HN3    25     1.01600   119.46715    -3.57467
   29    24 S   S    _SG2    35     1.82972   111.43729   -70.65860
   30    27 S   CT   _CA3    26     1.45273   123.28282   177.08368
   31    30 S   HC   HA31    27     1.09547   107.52604   -64.41864
   32    30 S   HC   HA32    28     1.09554   107.98080    52.03730
   33    29 S   CT   _C17    36     1.85921   102.87648   120.56017
   34    30 S   CO3  _C3_    29     1.52966   114.02637   174.01824
   35    34 S   O2Z  _O31    30     1.26384   116.04762    -0.61102
   36    34 S   O2Z  _O32    31     1.26422   114.42479   179.44751
   37    33 S   CM   _C12    37     1.53014   107.18675   175.24255
   38    33 S   CT   _C18    77     1.53825   110.26291   -61.57675
   39    38 S   HC   _H14    78     1.09492   112.78238    66.19368
   40    38 S   HC   _H15    79     1.09425   112.64000   -55.09280
   41    38 S   HC   _H16    80     1.09602   110.37603  -175.99156
   42    37 S   CMA  _C13    38     1.36063   121.70235   -93.44906
   43    42 S   OM   _O36    39     1.26486   129.80194  -176.86800
   44    37 S   CT   _C11    50     1.53186   117.96350    83.64523
   45    44 S   HC   _H12    51     1.09741   110.36330  -152.53199
   46    44 S   HC   _H13    52     1.09459   108.47833   -38.33660
   47    42 S   CM   _C14    40     1.48736   118.01132     4.97477
   48    44 S   CM   _C10    53     1.50638   113.25644    86.94350
   49    48 S   HC   _H11    54     1.08949   114.92397    41.04070
   50    47 S   CMA  _C15    41     1.35504   125.06410   -22.43439
   51    50 S   OM   _O34    42     1.26468   131.47838  -175.85589
   52    47 S   OS   _O35    45     1.40364   116.22452   160.99560
   53    48 S   CM   _C9_    55     1.34864   126.88042  -138.83232
   54    33 S   CO4  _C16    43     1.54062   109.12909    57.50180
   55    54 S   O    _O33    44     1.23585   121.17665  -103.80733
   56    52 S   CT   _C19    46     1.42843   110.52419   -91.09655
   57    56 S   HC   _H17    47     1.09398   107.80191   178.56933
   58    56 S   HC   _H18    48     1.09520   111.51105    60.10478
   59    56 S   HC   _H19    49     1.09504   111.21720   -63.17180
   60    53 S   CT   _C20    56     1.50413   123.98231    -3.22209
   61    60 S   HC   _H20    57     1.09344   110.22995   101.08215
   62    60 S   HC   _H21    58     1.09305   112.96722   -20.18004
   63    60 S   HC   _H22    59     1.09535   110.39392  -139.04846
   64    53 S   CT   _C8_    60     1.51756   120.29547   178.47415
   65    64 S   HC   _H9_    61     1.09801   110.49694     2.07726
   66    64 S   HC   _H10    62     1.09777   108.15603   117.26605
   67    64 S   CT   _C7_    63     1.53542   114.94126  -121.34543
   68    67 S   HC   _H7_    64     1.09601   109.05460  -177.08644
   69    67 S   HC   _H8_    65     1.09712   110.08882   -62.47608
   70    67 S   CM   _C6_    66     1.50315   113.57450    59.09690
   71    70 S   HC   _H6_    67     1.08943   114.26609   -89.55943
   72    70 S   CM   _C5_    68     1.34615   127.44612    91.34426
   73    72 S   CT   _C4_    69     1.50502   120.52866   179.04982
   74    73 S   HC   _H3_    70     1.09496   110.25811   118.65338
   75    73 S   HC   _H4_    71     1.09520   112.39065    -1.43436
   76    73 S   HC   _H5_    72     1.09489   110.23331  -121.48445
   77    72 S   CT   _C21    73     1.50205   124.78754    -1.86530
   78    77 S   HC   _H23    74     1.09484   110.11260   116.34097
   79    77 S   HC   _H24    75     1.09529   110.06322  -124.27545
   80    77 S   HC   _H25    76     1.09269   113.34075    -4.50228
  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  11   5   4   3
  16   2   1   1  17   8   3   2   1  11   4   9   4   3   9  10
   3   5   3   5  11   1   1   3   2   1   1   7   3   2   1   8
   5   4   7   4   3  10   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    50    54    55    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    50    51    54    55    44    45    46    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    50    54    55    52    44    45    46    48    49    53    38    39    40    41  
   39    40    41    42    44    50    54    55  
   40    41    54  
   41    54  
   54  
   43    47    50    51    54    52    56    44    45    46    48  
   47    50    52    44  
   45    46    48    49    53    60    64    47    54  
   46    48    49    53  
   48    49    53  
   50    51    54    55    52    56    57    58    59  
   49    53    60    61    62    63    64    65    66    67  
   53    60    64  
   51    54    55    52    56  
   54    55    52  
   56    57    58    59    54  
   60    61    62    63    64    65    66    67    68    69    70  
   55  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67    68    69    70    71    72  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    77  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77    78    79    80  
   72    73    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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  -0.601200   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   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -1.117400   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   51   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   52   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    54   317.000  1.522
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   465.000  1.376
   47    50   465.000  1.376
   47    52   440.000  1.360
   50    51   745.000  1.250
   50    54   270.000  1.476
   54    55   570.000  1.229
   52    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   317.000  1.510
   48    49   340.000  1.080
   48    53   549.000  1.340
   53    60   317.000  1.510
   53    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   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    54    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    54    50    65.00000  118.62400
   33    54    55    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    70.00000  123.01800
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    48    70.00000  110.12100
   42    47    50    70.00000  117.34000
   42    47    52    80.00000  120.01400
   47    42    43    65.00000  137.10300
   47    50    51    65.00000  137.10300
   47    50    54    65.00000  114.61000
   47    52    56    90.00000  111.18400
   50    54    55    80.00000  120.81000
   54    33    37    70.00000  109.06800
   54    50    51    85.00000  116.28000
   52    47    50    80.00000  120.01400
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    49    35.00000  117.00000
   44    48    53    70.00000  124.00000
   46    44    45    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    35.00000  109.50000
   48    53    60    70.00000  124.00000
   48    53    64    70.00000  124.00000
   53    48    49    35.00000  120.00000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    63    35.00000  109.50000
   53    64    65    35.00000  109.50000
   53    64    66    35.00000  109.50000
   53    64    67    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    53    60    65.00000  117.92700
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  112.02700
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    35.00000  117.00000
   67    70    72    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    70.00000  124.00000
   70    72    77    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    54    63.00000  111.10000
   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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    54    50   0.65300  1.0 1.0
   29    33    54    50  -0.03850 -1.0 2.0
   29    33    54    50   0.33900  1.0 3.0
   29    33    54    55   0.30150 -1.0 2.0
   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    43   7.00000 -1.0 2.0
   33    37    42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    48   0.09700  1.0 1.0
   33    37    44    48   0.15600 -1.0 2.0
   33    37    44    48  -0.50800  1.0 3.0
   37    33    54    50   0.65300  1.0 1.0
   37    33    54    50  -0.03850 -1.0 2.0
   37    33    54    50   0.33900  1.0 3.0
   37    33    54    55   0.30150 -1.0 2.0
   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   -47    50   7.00000 -1.0 2.0
   37    42    47    52   7.00000 -1.0 2.0
   37    44    48    49   0.00000  1.0 1.0
   37    44    48    53  -0.28300  1.0 1.0
   37    44    48    53   0.26700 -1.0 2.0
   37    44    48    53  -0.63300  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    48  -0.28300  1.0 1.0
   42    37    44    48   0.26700 -1.0 2.0
   42    37    44    48  -0.63300  1.0 3.0
   42    47    50    51   7.00000 -1.0 2.0
   42    47    50    54   7.00000 -1.0 2.0
   42    47    52    56  -2.26850  1.0 1.0
   42    47    52    56   3.39050 -1.0 2.0
   43    42    47    50   7.00000 -1.0 2.0
   43    42    47    52   7.00000 -1.0 2.0
   47    50   -54    33  -0.33500  1.0 1.0
   47    50   -54    33   1.06600 -1.0 2.0
   47    50   -54    33  -0.14000  1.0 3.0
   47    50    54    55   1.00000 -1.0 2.0
   47    52    56    57   0.08050  1.0 3.0
   47    52    56    58   0.08050  1.0 3.0
   47    52    56    59   0.08050  1.0 3.0
   50    47    52    56  -2.26850  1.0 1.0
   50    47    52    56   3.39050 -1.0 2.0
   51    50    54    33   0.32450 -1.0 2.0
   51    50    54    33   0.17400  1.0 3.0
   51    50    54    55  -0.11900  1.0 1.0
   51    50    54    55   0.76850 -1.0 2.0
   51    50    54    55   0.14100  1.0 3.0
   54    33   -37    42  -0.51250  1.0 1.0
   54    33   -37    42  -0.88800 -1.0 2.0
   54    33   -37    42   0.08850  1.0 3.0
   54    33    37    44   0.17250  1.0 1.0
   54    33    37    44  -0.04100 -1.0 2.0
   54    33    37    44  -0.33850  1.0 3.0
   54    33    38    39  -0.11250  1.0 3.0
   54    33    38    40  -0.11250  1.0 3.0
   54    33    38    41  -0.11250  1.0 3.0
   52    47    50    51   7.00000 -1.0 2.0
   52    47    50    54   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   44    48    53    60   7.00000 -1.0 2.0
   44    48    53    64   7.00000 -1.0 2.0
   45    44    48    49   0.33100  1.0 3.0
   45    44    48    53   0.00000  1.0 1.0
   46    44    48    49   0.33100  1.0 3.0
   46    44    48    53   0.00000  1.0 1.0
   48    53    60    61   0.00000  1.0 1.0
   48    53    60    62   0.00000  1.0 1.0
   48    53    60    63   0.00000  1.0 1.0
   48    53    64    65   0.00000  1.0 1.0
   48    53    64    66   0.00000  1.0 1.0
   48    53    64    67   0.09850  1.0 1.0
   48    53    64    67   0.15250 -1.0 2.0
   48    53    64    67  -0.50650  1.0 3.0
   49    48    53    60   7.00000 -1.0 2.0
   49    48    53    64   7.00000 -1.0 2.0
   53    64    67    68   0.15000  1.0 3.0
   53    64    67    69   0.15000  1.0 3.0
   53    64    67    70   0.31000  1.0 1.0
   53    64    67    70   0.14700 -1.0 2.0
   53    64    67    70   0.07550  1.0 3.0
   60    53    64    65   0.34800  1.0 3.0
   60    53    64    66   0.34800  1.0 3.0
   60    53    64    67   0.46850  1.0 1.0
   60    53    64    67   0.08550 -1.0 2.0
   60    53    64    67   0.09800  1.0 3.0
   64    53    60    61   0.34800  1.0 3.0
   64    53    60    62   0.34800  1.0 3.0
   64    53    60    63   0.34800  1.0 3.0
   64    67    70    71   0.00000  1.0 1.0
   64    67    70    72   0.09850  1.0 1.0
   64    67    70    72   0.15250 -1.0 2.0
   64    67    70    72  -0.50650  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    72    73   7.00000 -1.0 2.0
   67    70    72    77   7.00000 -1.0 2.0
   68    67    70    71   0.33100  1.0 3.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.33100  1.0 3.0
   69    67    70    72   0.00000  1.0 1.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    75   0.00000  1.0 1.0
   70    72    73    76   0.00000  1.0 1.0
   70    72    77    78   0.00000  1.0 1.0
   70    72    77    79   0.00000  1.0 1.0
   70    72    77    80   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    77   7.00000 -1.0 2.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.34800  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   0.34800  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    54    50   0.65300  1.0 1.0
   38    33    54    50  -0.03850 -1.0 2.0
   38    33    54    50   0.33900  1.0 3.0
   38    33    54    55   0.30150 -1.0 2.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   42    52    47    50   1.10000 -1.0 2.0
   54    51    50    47   1.10000 -1.0 2.0
   33    50    54    55  10.50000 -1.0 2.0
   44    49    48    53  15.00000 -1.0 2.0
   60    64    53    48  15.00000 -1.0 2.0
   67    71    70    72  15.00000 -1.0 2.0
   73    77    72    70  15.00000 -1.0 2.0
END
