* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    144    214     417
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02121    32.86407   161.86806
    3     1 S   H    _H1_     3     1.02111    89.19270   -70.48837
    4     1 S   H    _H2_     4     1.02015    91.34802    38.21072
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08638   110.54412    58.87164
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.82171    98.25058  -178.15316
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C7_    37     1.49390   110.17933   159.94890
   38    33 S   OS   _O22    75     1.42374   110.64691    37.61116
   39    37 S   CMA  _C6_    38     1.35069   124.06561    98.07905
   40    39 S   OM   _O19    39     1.26352   128.37606   177.07926
   41    37 S   OS   _O21    70     1.38906   115.66933   -83.77395
   42    38 S   CT   _C21    76     1.42043   111.52746  -177.76998
   43    42 S   HC   _H43    77     1.09324   109.54890  -180.00000
   44    42 S   HC   _H44    78     1.09323   109.53672    59.16827
   45    42 S   HC   _H45    79     1.09301   108.98994   -60.39537
   46    39 S   CM   _C4_    40     1.50192   118.20764    -3.71726
   47    41 S   CT   _C20    71     1.40360   112.28575    91.82485
   48    47 S   HC   _H40    72     1.09276   109.53927  -179.96574
   49    47 S   HC   _H41    73     1.09277   109.55211    59.18335
   50    47 S   HC   _H42    74     1.09274   108.97261   -60.39986
   51    46 S   CM   _C5_    41     1.36147   121.93213    17.67870
   52    33 S   CO4  _C8_    42     1.51965   108.08931   -79.00798
   53    52 S   O    _O20    43     1.23116   120.49004    91.84886
   54    51 S   CT   _C16    44     1.54293   125.36688  -179.89165
   55    54 S   CT   _C14    45     1.55137   111.99845    -5.09620
   56    55 S   HC   _H31    46     1.09870   110.33920   -84.81931
   57    55 S   HC   _H32    47     1.09858   110.68823   158.87012
   58    54 S   CM   _C11    61     1.51670   109.86716   114.73758
   59    58 S   HC   _H28    62     1.08571   117.20714   -59.96967
   60    54 S   CT   _C19    66     1.54449   112.56350  -124.51252
   61    60 S   HC   _H37    67     1.08230   108.87262  -180.00000
   62    60 S   HC   _H38    68     1.08224   108.88470    60.03864
   63    60 S   HC   _H39    69     1.08224   108.84617   -60.01662
   64    55 S   CT   _C13    48     1.52142   111.99202    36.98916
   65    64 S   HC   _H29    49     1.09789   110.03189    60.27976
   66    64 S   HC   _H30    50     1.09769   109.55618   176.82263
   67    58 S   CM   _C9_    63     1.33702   123.97937   120.01214
   68    67 S   HC   _H24    64     1.08515   120.45047  -179.96044
   69    67 S   HC   _H25    65     1.08492   121.57485     0.00000
   70    46 S   CT   _C15    51     1.54190   118.50292  -159.01252
   71    70 S   HC   _H33    52     1.09954   109.01114    39.75309
   72    70 S   CM   _C12    53     1.50730   112.01591   -79.37032
   73    72 S   CM   _C10    54     1.34141   121.93413   -30.14298
   74    73 S   HC   _H26    55     1.08502   121.39105  -179.97202
   75    73 S   HC   _H27    56     1.08517   121.35136     0.07402
   76    72 S   CT   _C18    57     1.49951   116.18829   149.90780
   77    76 S   HC   _H34    58     1.09445   110.28858   -89.98957
   78    76 S   HC   _H35    59     1.09538   110.29118    29.84061
   79    76 S   HC   _H36    60     1.09511   112.16972   149.90113
  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   9   5   4   3
  15   2   1   1  14   9  11   4   6   4   2   1   1  15   3   2
   1   1  17   6   1  16  15   7   6   9   4   5   2   1   1   7
   4   3   2   1   1   9   3   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    51    52    53    41    38    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    46    51    52    53    54    41    47    38    42    43    44    45  
   35    36  
   36  
    0  
   39    40    46    51    52    53    70    41    47    48    49    50    38    42  
   42    43    44    45    39    41    51    52    53  
   40    46    51    52    54    64    70    71    72    41    47  
   46    51    70    41  
   47    48    49    50    46    52  
   43    44    45    52  
   44    45  
   45  
    0  
   51    52    53    54    55    64    65    66    70    71    72    73    76    58    60  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    64    70    71    72    58    59    67    60    61    62    63  
   53    54    55    70    58    60  
   54  
   55    56    57    64    65    66    70    58    59    67    68    69    60    61    62    63  
   56    57    64    65    66    70    71    72    58    59    67    60    61    62    63  
   57    64    65    66    70    58    60  
   64    65    66    70    58    60  
   59    67    68    69    60    61    62    63    64  
   67    68    69    60  
   61    62    63    64    67  
   62    63  
   63  
    0  
   65    66    70    71    72    73    76  
   66    70    71    72  
   70    71    72  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79  
   72    73    76  
   73    74    75    76    77    78    79  
   74    75    76    77    78    79  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    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  -0.316400   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   0.465900   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  -0.585200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   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
   79   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    52   317.000  1.522
   33    38   320.000  1.410
   37    39   465.000  1.376
   37    41   440.000  1.360
   39    40   745.000  1.250
   39    46   465.000  1.376
   46    51   549.000  1.340
   46    70   317.000  1.510
   51    52   320.000  1.462
   51    54   317.000  1.510
   52    53   570.000  1.229
   54    55   268.000  1.529
   54    58   317.000  1.510
   54    60   268.000  1.529
   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    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   317.000  1.510
   72    73   549.000  1.340
   72    76   317.000  1.510
   73    74   340.000  1.080
   73    75   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   58    59   340.000  1.080
   58    67   549.000  1.340
   67    68   340.000  1.080
   67    69   340.000  1.080
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   41    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   38    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    52    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  124.00000
   33    37    41    85.00000  112.85300
   33    52    51    65.00000  118.62400
   33    52    53    80.00000  120.40000
   33    38    42    60.00000  109.50000
   37    39    40    65.00000  137.10300
   37    39    46    70.00000  123.01800
   37    41    47    90.00000  111.18400
   39    46    51    70.00000  117.34000
   39    46    70    70.00000  124.00000
   46    39    40    65.00000  137.10300
   46    51    52    65.00000  118.96000
   46    51    54    70.00000  124.00000
   46    70    64    70.00000  112.02700
   46    70    71    35.00000  109.50000
   46    70    72    70.00000  110.12100
   51    52    53    80.00000  123.72100
   51    54    55    70.00000  112.02700
   51    54    58    70.00000  110.12100
   51    54    60    70.00000  112.02700
   52    33    37    70.00000  109.06800
   54    51    52    65.00000  116.34900
   54    55    56    37.50000  110.70000
   54    55    57    37.50000  110.70000
   54    55    64    58.35000  112.70000
   54    58    59    35.00000  117.00000
   54    58    67    70.00000  124.00000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    70    58.35000  112.70000
   57    55    56    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    70.00000  112.02700
   66    64    65    33.00000  107.80000
   70    46    51    70.00000  124.00000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    72    73    70.00000  124.00000
   70    72    76    65.00000  117.92700
   72    70    71    35.00000  109.50000
   72    73    74    35.00000  120.00000
   72    73    75    35.00000  120.00000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   75    73    74    35.00000  117.00000
   76    72    73    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   58    54    55    70.00000  112.02700
   58    67    68    35.00000  120.00000
   58    67    69    35.00000  120.00000
   67    58    59    35.00000  120.00000
   69    67    68    35.00000  117.00000
   60    54    55    58.35000  112.70000
   60    54    58    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
   41    37    39    80.00000  120.01400
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   38    33    37    85.00000  110.90400
   38    33    52    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    39   0.42700  1.0 1.0
   29    33    37    39  -0.70350 -1.0 2.0
   29    33    37    39  -0.43150  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    52    51   0.65300  1.0 1.0
   29    33    52    51  -0.03850 -1.0 2.0
   29    33    52    51   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   29    33    38    42   0.14700  1.0 1.0
   29    33    38    42  -1.16150 -1.0 2.0
   29    33    38    42   0.48700  1.0 3.0
   33    37    39    40   7.00000 -1.0 2.0
   33    37    39    46   7.00000 -1.0 2.0
   33    37    41    47   2.00000 -1.0 2.0
   33    38    42    43   0.37050  1.0 3.0
   33    38    42    44   0.37050  1.0 3.0
   33    38    42    45   0.37050  1.0 3.0
   37    33    52    51   0.65300  1.0 1.0
   37    33    52    51  -0.03850 -1.0 2.0
   37    33    52    51   0.33900  1.0 3.0
   37    33    52    53   0.30150 -1.0 2.0
   37    33    38    42  -0.77900  1.0 1.0
   37    33    38    42  -0.36900 -1.0 2.0
   37    33    38    42   0.40400  1.0 3.0
   37    39   -46    51   7.00000 -1.0 2.0
   37    39    46    70   7.00000 -1.0 2.0
   37    41    47    48   0.08050  1.0 3.0
   37    41    47    49   0.08050  1.0 3.0
   37    41    47    50   0.08050  1.0 3.0
   39    37    41    47  -2.26850  1.0 1.0
   39    37    41    47   3.39050 -1.0 2.0
   39    46    51    52   7.00000 -1.0 2.0
   39    46    51    54   7.00000 -1.0 2.0
   39    46    70    64   0.09850  1.0 1.0
   39    46    70    64   0.15250 -1.0 2.0
   39    46    70    64  -0.50650  1.0 3.0
   39    46    70    71   0.00000  1.0 1.0
   39    46    70    72  -0.28300  1.0 1.0
   39    46    70    72   0.26700 -1.0 2.0
   39    46    70    72  -0.63300  1.0 3.0
   40    39    46    51   7.00000 -1.0 2.0
   40    39    46    70   7.00000 -1.0 2.0
   46    51   -52    33  -0.33500  1.0 1.0
   46    51   -52    33   1.06600 -1.0 2.0
   46    51   -52    33  -0.14000  1.0 3.0
   46    51    52    53   1.00000 -1.0 2.0
   46    51    54    55   0.09850  1.0 1.0
   46    51    54    55   0.15250 -1.0 2.0
   46    51    54    55  -0.50650  1.0 3.0
   46    51    54    58  -0.28300  1.0 1.0
   46    51    54    58   0.26700 -1.0 2.0
   46    51    54    58  -0.63300  1.0 3.0
   46    51    54    60   0.09850  1.0 1.0
   46    51    54    60   0.15250 -1.0 2.0
   46    51    54    60  -0.50650  1.0 3.0
   46    70    72    73  -0.28300  1.0 1.0
   46    70    72    73   0.26700 -1.0 2.0
   46    70    72    73  -0.63300  1.0 3.0
   46    70    72    76   0.09700  1.0 1.0
   46    70    72    76   0.15600 -1.0 2.0
   46    70    72    76  -0.50800  1.0 3.0
   51    46    70    64   0.09850  1.0 1.0
   51    46    70    64   0.15250 -1.0 2.0
   51    46    70    64  -0.50650  1.0 3.0
   51    46    70    71   0.00000  1.0 1.0
   51    46    70    72  -0.28300  1.0 1.0
   51    46    70    72   0.26700 -1.0 2.0
   51    46    70    72  -0.63300  1.0 3.0
   51    54    55    56   0.15000  1.0 3.0
   51    54    55    57   0.15000  1.0 3.0
   51    54   -55    64   0.34400  1.0 1.0
   51    54   -55    64   0.09450 -1.0 2.0
   51    54   -55    64   0.11100  1.0 3.0
   51    54    58    59   0.00000  1.0 1.0
   51    54    58    67  -0.28300  1.0 1.0
   51    54    58    67   0.26700 -1.0 2.0
   51    54    58    67  -0.63300  1.0 3.0
   51    54    60    61   0.15000  1.0 3.0
   51    54    60    62   0.15000  1.0 3.0
   51    54    60    63   0.15000  1.0 3.0
   52    33   -37    39  -0.51250  1.0 1.0
   52    33   -37    39  -0.88800 -1.0 2.0
   52    33   -37    39   0.08850  1.0 3.0
   52    33    37    41   0.09700  1.0 1.0
   52    33    37    41   0.15600 -1.0 2.0
   52    33    37    41  -0.50800  1.0 3.0
   52    33    38    42  -1.11000  1.0 1.0
   52    33    38    42   0.50250 -1.0 2.0
   52    33    38    42   0.47450  1.0 3.0
   52    51    54    55   0.09700  1.0 1.0
   52    51    54    55   0.15600 -1.0 2.0
   52    51    54    55  -0.50800  1.0 3.0
   52    51    54    58   0.09700  1.0 1.0
   52    51    54    58   0.15600 -1.0 2.0
   52    51    54    58  -0.50800  1.0 3.0
   52    51    54    60   0.09700  1.0 1.0
   52    51    54    60   0.15600 -1.0 2.0
   52    51    54    60  -0.50800  1.0 3.0
   54    51    52    33   0.25700  1.0 1.0
   54    51    52    33   0.66200 -1.0 2.0
   54    51    52    33   0.04450  1.0 3.0
   54    51    52    53  -0.64400  1.0 1.0
   54    51    52    53   0.26850 -1.0 2.0
   54    55    64    65   0.15000  1.0 3.0
   54    55    64    66   0.15000  1.0 3.0
   54    55    64    70   0.56750  1.0 1.0
   54    55    64    70  -0.07550 -1.0 2.0
   54    55    64    70   0.20000  1.0 3.0
   54    58    67    68   7.00000 -1.0 2.0
   54    58    67    69   7.00000 -1.0 2.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    67   0.09850  1.0 1.0
   55    54    58    67   0.15250 -1.0 2.0
   55    54    58    67  -0.50650  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   55    64   -70    46   0.34400  1.0 1.0
   55    64   -70    46   0.09450 -1.0 2.0
   55    64   -70    46   0.11100  1.0 3.0
   55    64    70    71   0.15000  1.0 3.0
   55    64    70    72   0.34400  1.0 1.0
   55    64    70    72   0.09450 -1.0 2.0
   55    64    70    72   0.11100  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    66   0.15000  1.0 3.0
   56    55    64    70   0.15000  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    66   0.15000  1.0 3.0
   57    55    64    70   0.15000  1.0 3.0
   64    70    72    73   0.09850  1.0 1.0
   64    70    72    73   0.15250 -1.0 2.0
   64    70    72    73  -0.50650  1.0 3.0
   64    70    72    76   0.46850  1.0 1.0
   64    70    72    76   0.08550 -1.0 2.0
   64    70    72    76   0.09800  1.0 3.0
   65    64    70    46   0.15000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   66    64    70    46   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   70    46    51    52   7.00000 -1.0 2.0
   70    46   -51    54   7.00000 -1.0 2.0
   70    72    73    74   7.00000 -1.0 2.0
   70    72    73    75   7.00000 -1.0 2.0
   70    72    76    77   0.34800  1.0 3.0
   70    72    76    78   0.34800  1.0 3.0
   70    72    76    79   0.34800  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    76   0.34800  1.0 3.0
   73    72    76    77   0.00000  1.0 1.0
   73    72    76    78   0.00000  1.0 1.0
   73    72    76    79   0.00000  1.0 1.0
   76    72    73    74   7.00000 -1.0 2.0
   76    72    73    75   7.00000 -1.0 2.0
   58    54    55    56   0.15000  1.0 3.0
   58    54    55    57   0.15000  1.0 3.0
   58    54    55    64   0.34400  1.0 1.0
   58    54    55    64   0.09450 -1.0 2.0
   58    54    55    64   0.11100  1.0 3.0
   58    54    60    61   0.15000  1.0 3.0
   58    54    60    62   0.15000  1.0 3.0
   58    54    60    63   0.15000  1.0 3.0
   59    58    67    68   7.00000 -1.0 2.0
   59    58    67    69   7.00000 -1.0 2.0
   60    54    55    56   0.15000  1.0 3.0
   60    54    55    57   0.15000  1.0 3.0
   60    54    55    64   0.56750  1.0 1.0
   60    54    55    64  -0.07550 -1.0 2.0
   60    54    55    64   0.20000  1.0 3.0
   60    54    58    59   0.00000  1.0 1.0
   60    54    58    67   0.09850  1.0 1.0
   60    54    58    67   0.15250 -1.0 2.0
   60    54    58    67  -0.50650  1.0 3.0
   41    37    39    40   7.00000 -1.0 2.0
   41    37    39    46   7.00000 -1.0 2.0
   38    33    37    39   0.39000  1.0 1.0
   38    33    37    39  -0.05800 -1.0 2.0
   38    33    37    39  -0.55150  1.0 3.0
   38    33    37    41   0.09700  1.0 1.0
   38    33    37    41   0.15600 -1.0 2.0
   38    33    37    41  -0.50800  1.0 3.0
   38    33    52    51   0.65300  1.0 1.0
   38    33    52    51  -0.03850 -1.0 2.0
   38    33    52    51   0.33900  1.0 3.0
   38    33    52    53   0.30150 -1.0 2.0
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    41    37    39   1.10000 -1.0 2.0
   46    40    39    37   1.10000 -1.0 2.0
   39    70    46    51   1.10000 -1.0 2.0
   52    54    51    46   1.10000 -1.0 2.0
   33    51    52    53  10.50000 -1.0 2.0
   70    76    72    73  15.00000 -1.0 2.0
   74    75    73    72  15.00000 -1.0 2.0
   54    59    58    67  15.00000 -1.0 2.0
   68    69    67    58  15.00000 -1.0 2.0
END
