* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    154    233     443
    1     0 S   NP   _N1_     1    28.86421    94.61785   -22.87986
    2     1 S   H    _HN1     2     1.02779   102.44240   -79.06248
    3     1 S   H    _H1_     3     1.02959    81.82020    28.00415
    4     1 S   H    _H2_     4     1.02834    29.57363   176.54929
    5     1 S   CT   _CA1     5     1.50119   136.02806   138.99451
    6     5 S   HC   _HA1     6     1.09576   105.22919    77.88377
    7     5 S   CO3  _C1_     7     1.53776   112.38907   -42.32042
    8     7 S   O2Z  _O11     8     1.26359   115.00443   -44.05240
    9     7 S   O2Z  _O12     9     1.26239   114.91675   135.11802
   10     5 S   CT   _CB1    10     1.53094   107.42862  -164.22591
   11    10 S   HC   HB11    11     1.09827   109.30129   -50.95541
   12    10 S   HC   HB12    12     1.09820   110.42700    65.57287
   13    10 S   CT   _CG1    13     1.53028   112.70260  -172.06719
   14    13 S   HC   HG11    14     1.09593   110.45721   -64.26706
   15    13 S   HC   HG12    15     1.09652   109.97880    54.97701
   16    13 S   C    _CD1    16     1.51805   112.27340   175.30039
   17    16 S   O    _OE1    17     1.22707   123.22382    -1.33911
   18    16 S   N    _N2_    18     1.38583   111.73466   178.83484
   19    18 S   H    _HN2    19     1.01595   118.99958     0.77833
   20    18 S   CT1  _CA2    20     1.46043   123.36373   179.54458
   21    20 S   HC   _HA2    21     1.09587   109.38476    -9.74909
   22    20 S   C    _C2_    22     1.53192   107.84789  -124.26019
   23    22 S   O    _O2_    23     1.22956   122.59836  -136.83273
   24    20 S   CT   _CB2    32     1.53256   111.72128   112.93701
   25    24 S   HC   HB21    33     1.09634   109.94823    55.57309
   26    24 S   HC   HB22    34     1.09567   110.93930   173.27778
   27    22 S   N    _N3_    24     1.38623   112.87137    50.33193
   28    27 S   H    _HN3    25     1.01507   119.02884    -1.25367
   29    24 S   S    _SG2    35     1.83043   114.28264   -64.78082
   30    27 S   CT   _CA3    26     1.45379   122.98815   172.78020
   31    30 S   HC   HA31    27     1.09549   108.72730    33.59426
   32    30 S   HC   HA32    28     1.09473   107.17939   150.71550
   33    29 S   CT   _C20    36     1.82753    99.41639   -64.32086
   34    33 S   HC   _H3_    37     1.09475   108.24400   -44.24917
   35    33 S   HC   _H4_    38     1.08998   106.34266    72.35626
   36    30 S   CO3  _C3_    29     1.53126   113.90956   -89.14646
   37    36 S   O2Z  _O31    30     1.26355   116.05153   -25.54366
   38    36 S   O2Z  _O32    31     1.26452   114.50258   155.26829
   39    33 S   CT   _C11    39     1.53409   112.19212  -167.01487
   40    39 S   HC   _H31    40     1.09624   111.77149   -48.71837
   41    39 S   CO4  _C6_    41     1.51024   110.18433    73.75747
   42    41 S   O    _O18    42     1.22094   126.02911   -81.27236
   43    41 S   OS   _O20    43     1.36548   109.76293    97.46377
   44    43 S   CT   _C13    44     1.44074   110.03417     0.60393
   45    44 S   HC   _H33    45     1.09403   106.84629   -94.19648
   46    39 S   CT   _C12    46     1.54925   115.45599  -173.55634
   47    46 S   HC   _H32    47     1.10040   105.52522   165.03905
   48    44 S   C3T  _C14    63     1.48924   108.10828   145.40459
   49    48 S   HC   _H34    64     1.08125   112.44701   -76.25895
   50    46 S   CT   _C15    48     1.55092   113.93883    46.73224
   51    50 S   HC   _H35    49     1.09903   106.76753    28.09546
   52    76 S   O3T  _O21    65     1.43426   116.34334  -157.14124
   53    50 S   CT   _C9_    50     1.55600   116.17947   144.08580
   54    53 S   HC   _H27    51     1.09827   107.53385   -67.13618
   55    53 S   HC   _H28    52     1.09779   109.35900   178.91791
   56    50 S   OS   _O22    74     1.44348   109.38829   -88.77131
   57    53 S   CM   _C5_    53     1.51280   117.66440    55.91261
   58    56 S   CO4  _C7_    75     1.36362   117.90425   151.29072
   59    58 S   O    _O19    76     1.22281   126.40554     2.78902
   60    57 S   CM   _C4_    54     1.34573   120.14768    65.65221
   61    60 S   HC   _H24    55     1.08842   118.09302     3.71668
   62    57 S   CT   _C17    70     1.50368   115.60891  -113.85614
   63    62 S   HC   _H36    71     1.09528   109.75751   -63.19699
   64    62 S   HC   _H37    72     1.09287   113.11753   177.01443
   65    62 S   HC   _H38    73     1.09414   110.75025    56.01211
   66    58 S   CT   _C18    77     1.49816   109.45051  -176.90731
   67    66 S   HC   _H39    78     1.09282   109.84549   -60.90288
   68    66 S   HC   _H40    79     1.09374   109.36283  -179.98022
   69    66 S   HC   _H41    80     1.09306   109.76237    61.01507
   70    60 S   CT   _C8_    56     1.50379   127.56782  -169.01914
   71    70 S   HC   _H25    57     1.09799   107.25930  -169.82622
   72    70 S   HC   _H26    58     1.09576   111.22910   -54.88657
   73    70 S   CT   _C10    59     1.54171   113.64057    70.48828
   74    73 S   HC   _H29    60     1.09672   109.30619   155.79397
   75    73 S   HC   _H30    61     1.09760   108.78320   -89.20325
   76    73 S   C3T  _C16    62     1.50964   112.98012    33.15131
   77    76 S   CT   _C19    66     1.50039   117.37357    66.97318
   78    77 S   HC   _H42    67     1.09522   112.09379   159.92455
   79    77 S   HC   _H43    68     1.09507   110.43662    40.59826
   80    77 S   HC   _H44    69     1.09311   111.12726   -79.32400
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5  12
   4  11   6   9  12   5   4   7  10   5   4  12   5   4   2   1
   1   3   2   1   1   7   5   4   7   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    53    48    56  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    76    48    49    52  
   45    46    47    50    51    53    73    76    48    49    52    77    56  
   46    47    50    76    48    49    52  
   47    50    51    53    54    55    57    76    48    49    52    56    58  
   50    51    53    48    56  
   49    52    77    78    79    80    50    70    73    74    75    76  
   52    77    73    76  
   51    53    54    55    57    60    62    56    58    59    66  
   53    54    55    57    56    58  
   77    78    79    80    70    73    74    75    76  
   54    55    57    60    61    70    62    63    64    65    56    58  
   55    57    60    62    56  
   57    60    62    56  
   58    59    66    67    68    69    57  
   60    61    70    71    72    73    62    63    64    65  
   59    66    67    68    69  
   66    67    68    69  
   61    70    71    72    73    74    75    76    62    63    64    65  
   70    71    72    73    62  
   63    64    65    70  
   64    65  
   65  
    0  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77    78    79    80  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   549.000  1.340
   57    62   317.000  1.510
   60    61   340.000  1.080
   60    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   275.000  1.510
   76    48   260.000  1.509
   76    52   335.000  1.432
   76    77   275.000  1.510
   48    49   340.000  1.088
   48    52   335.000  1.432
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    76    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    52    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    56    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    70.00000  112.02700
   50    56    58    83.00000  116.90000
   53    50    51    37.50000  110.70000
   53    57    60    70.00000  124.00000
   53    57    62    65.00000  117.92700
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    70    70.00000  124.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    35.00000  109.50000
   60    70    71    35.00000  109.50000
   60    70    72    35.00000  109.50000
   60    70    73    70.00000  112.02700
   70    60    61    35.00000  117.00000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    70.00000  112.37300
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    48    60.00000  120.94000
   73    76    52    80.00000  116.47100
   73    76    77    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    45.00000  109.38400
   76    73    75    45.00000  109.38400
   76    48    49    37.50000  117.20000
   76    48    52    15.00000   60.43100
   76    52    48    15.00000   59.14900
   76    77    78    45.00000  109.38400
   76    77    79    45.00000  109.38400
   76    77    80    45.00000  109.38400
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   52    76    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   77    76    48    60.00000  120.94000
   77    76    52    80.00000  116.47100
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   62    57    60    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    66    81.00000  111.40000
   58    66    67    35.00000  109.50000
   58    66    68    35.00000  109.50000
   58    66    69    35.00000  109.50000
   66    58    59    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    53   0.56750  1.0 1.0
   39    46    50    53  -0.07550 -1.0 2.0
   39    46    50    53   0.20000  1.0 3.0
   39    46    50    56   0.62750  1.0 1.0
   39    46    50    56  -0.30950 -1.0 2.0
   39    46    50    56   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    76  -0.26800  1.0 1.0
   43    44    48    76   0.69150 -1.0 2.0
   43    44    48    76  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    52   1.11900  1.0 1.0
   43    44    48    52  -1.16350 -1.0 2.0
   43    44    48    52  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    56   0.62750  1.0 1.0
   44    46    50    56  -0.30950 -1.0 2.0
   44    46    50    56   0.27300  1.0 3.0
   44    48   -52    76   0.06250  1.0 1.0
   44    48   -52    76  -0.01100 -1.0 2.0
   44    48   -52    76   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    76   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    76   0.07850  1.0 1.0
   46    44    48    76  -0.03950 -1.0 2.0
   46    44    48    76   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.02550  1.0 1.0
   46    44    48    52  -0.02600 -1.0 2.0
   46    44    48    52   1.20400  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    57   0.34400  1.0 1.0
   46    50    53    57   0.09450 -1.0 2.0
   46    50    53    57   0.11100  1.0 3.0
   46    50    56    58  -0.25900  1.0 1.0
   46    50    56    58  -0.47000 -1.0 2.0
   46    50    56    58   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    56   0.23400  1.0 3.0
   50    53    57    60   0.09850  1.0 1.0
   50    53    57    60   0.15250 -1.0 2.0
   50    53    57    60  -0.50650  1.0 3.0
   50    53    57    62   0.46850  1.0 1.0
   50    53    57    62   0.08550 -1.0 2.0
   50    53    57    62   0.09800  1.0 3.0
   50    56    58    59   3.00000 -1.0 2.0
   50    56    58    66   1.63150  1.0 1.0
   50    56    58    66   2.92000 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   51    50    56    58   0.08050  1.0 3.0
   53    50    56    58  -0.25900  1.0 1.0
   53    50    56    58  -0.47000 -1.0 2.0
   53    50    56    58   0.11750  1.0 3.0
   53    57    60    61   7.00000 -1.0 2.0
   53    57    60    70   7.00000 -1.0 2.0
   53    57    62    63   0.34800  1.0 3.0
   53    57    62    64   0.34800  1.0 3.0
   53    57    62    65   0.34800  1.0 3.0
   54    53    57    60   0.00000  1.0 1.0
   54    53    57    62   0.34800  1.0 3.0
   55    53    57    60   0.00000  1.0 1.0
   55    53    57    62   0.34800  1.0 3.0
   57    60    70    71   0.00000  1.0 1.0
   57    60    70    72   0.00000  1.0 1.0
   57    60    70    73   0.09850  1.0 1.0
   57    60    70    73   0.15250 -1.0 2.0
   57    60    70    73  -0.50650  1.0 3.0
   60    57    62    63   0.00000  1.0 1.0
   60    57    62    64   0.00000  1.0 1.0
   60    57    62    65   0.00000  1.0 1.0
   60    70    73    74   0.15000  1.0 3.0
   60    70    73    75   0.15000  1.0 3.0
   60    70    73    76   0.34400  1.0 1.0
   60    70    73    76   0.09450 -1.0 2.0
   60    70    73    76   0.11100  1.0 3.0
   61    60    70    71   0.33100  1.0 3.0
   61    60    70    72   0.33100  1.0 3.0
   61    60    70    73   0.00000  1.0 1.0
   70    73    76    48   0.07850  1.0 1.0
   70    73    76    48  -0.03950 -1.0 2.0
   70    73    76    48   0.67350  1.0 3.0
   70    73    76    52   0.02550  1.0 1.0
   70    73    76    52  -0.02600 -1.0 2.0
   70    73    76    52   1.20400  1.0 3.0
   70    73    76    77   0.56750  1.0 1.0
   70    73    76    77  -0.07550 -1.0 2.0
   70    73    76    77   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    48    44   0.56750  1.0 1.0
   73    76    48    44  -0.07550 -1.0 2.0
   73    76    48    44   0.20000  1.0 3.0
   73    76    48    49   0.15000  1.0 3.0
   73    76   -48    52   0.02550  1.0 1.0
   73    76   -48    52  -0.02600 -1.0 2.0
   73    76   -48    52   1.20400  1.0 3.0
   73    76   -52    48   0.06250  1.0 1.0
   73    76   -52    48  -0.01100 -1.0 2.0
   73    76   -52    48   0.28050  1.0 3.0
   73    76    77    78   0.15000  1.0 3.0
   73    76    77    79   0.15000  1.0 3.0
   73    76    77    80   0.15000  1.0 3.0
   74    73    76    48   0.15000  1.0 3.0
   74    73    76    52   0.23400  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   75    73    76    48   0.15000  1.0 3.0
   75    73    76    52   0.23400  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    76    77    78   0.15000  1.0 3.0
   48    76    77    79   0.15000  1.0 3.0
   48    76    77    80   0.15000  1.0 3.0
   49    48   -52    76   0.36800  1.0 3.0
   52    76   -48    44   0.02550  1.0 1.0
   52    76   -48    44  -0.02600 -1.0 2.0
   52    76   -48    44   1.20400  1.0 3.0
   52    76   -48    49   0.23400  1.0 3.0
   52    76    77    78   0.23400  1.0 3.0
   52    76    77    79   0.23400  1.0 3.0
   52    76    77    80   0.23400  1.0 3.0
   77    76    48    44   0.56750  1.0 1.0
   77    76    48    44  -0.07550 -1.0 2.0
   77    76    48    44   0.20000  1.0 3.0
   77    76    48    49   0.15000  1.0 3.0
   77    76   -48    52   0.02550  1.0 1.0
   77    76   -48    52  -0.02600 -1.0 2.0
   77    76   -48    52   1.20400  1.0 3.0
   77    76   -52    48   0.06250  1.0 1.0
   77    76   -52    48  -0.01100 -1.0 2.0
   77    76   -52    48   0.28050  1.0 3.0
   62    57    60    61   7.00000 -1.0 2.0
   62    57    60    70   7.00000 -1.0 2.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    57   0.61850  1.0 1.0
   56    50    53    57  -0.22750 -1.0 2.0
   56    50    53    57   0.15300  1.0 3.0
   56    58    66    67   0.00000  1.0 1.0
   56    58    66    68   0.00000  1.0 1.0
   56    58    66    69   0.00000  1.0 1.0
   59    58    66    67   0.00000  1.0 1.0
   59    58    66    68   0.00000  1.0 1.0
   59    58    66    69   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   53    62    57    60   1.10000 -1.0 2.0
   70    61    60    57   1.10000 -1.0 2.0
   56    66    58    59  10.50000 -1.0 2.0
END
