* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    156    246     465
    1     0 S   NP   _N1_     1    29.48033    94.83641   -24.79477
    2     1 S   H    _HN1     2     1.02949    77.84251     7.04812
    3     1 S   H    _H1_     3     1.02830    29.28848  -176.43042
    4     1 S   H    _H2_     4     1.02789   116.67139   -97.57782
    5     1 S   CT   _CA1     5     1.50104   124.37539   113.61940
    6     5 S   HC   _HA1     6     1.09572   105.20478    88.67927
    7     5 S   CO3  _C1_     7     1.53788   112.45560   -31.59612
    8     7 S   O2Z  _O11     8     1.26373   115.00618   -43.00090
    9     7 S   O2Z  _O12     9     1.26237   114.94379   136.16303
   10     5 S   CT   _CB1    10     1.53078   107.43282  -153.31335
   11    10 S   HC   HB11    11     1.09834   109.40354   -49.57796
   12    10 S   HC   HB12    12     1.09814   110.44538    67.03826
   13    10 S   CT   _CG1    13     1.52993   112.58781  -170.53722
   14    13 S   HC   HG11    14     1.09579   110.65356   -65.30784
   15    13 S   HC   HG12    15     1.09667   109.78297    53.94002
   16    13 S   C    _CD1    16     1.51775   112.18103   174.43014
   17    16 S   O    _OE1    17     1.22747   123.27121     7.61711
   18    16 S   N    _N2_    18     1.38669   111.71215  -172.60463
   19    18 S   H    _HN2    19     1.01586   118.98074     1.81941
   20    18 S   CT1  _CA2    20     1.46072   123.34093   177.57844
   21    20 S   HC   _HA2    21     1.09620   109.28443     3.65366
   22    20 S   C    _C2_    22     1.53571   109.00307  -111.49930
   23    22 S   O    _O2_    23     1.23067   122.16562  -149.50216
   24    20 S   CT   _CB2    32     1.53305   111.71891   126.00458
   25    24 S   HC   HB21    33     1.09645   109.81998    62.21468
   26    24 S   HC   HB22    34     1.09575   110.72716   179.57572
   27    22 S   N    _N3_    24     1.38295   113.79547    37.96954
   28    27 S   H    _HN3    25     1.01571   119.60705    -3.32584
   29    24 S   S    _SG2    35     1.82943   114.82823   -58.02787
   30    27 S   CT   _CA3    26     1.45288   123.24641   177.09586
   31    30 S   HC   HA31    27     1.09547   107.51279   -64.87239
   32    30 S   HC   HA32    28     1.09556   107.99263    51.58135
   33    29 S   CT   _C19    36     1.82837    99.79668   -59.91474
   34    33 S   HC   _H3_    37     1.09107   108.39997   -38.59573
   35    33 S   HC   _H4_    38     1.09172   105.66791    78.10331
   36    30 S   CO3  _C3_    29     1.52970   114.04688   173.60404
   37    36 S   O2Z  _O31    30     1.26382   116.06323     0.25023
   38    36 S   O2Z  _O32    31     1.26425   114.42803  -179.68784
   39    33 S   CT   _C11    39     1.53203   112.43303  -161.38377
   40    39 S   HC   _H32    40     1.09775   110.26360   -47.45542
   41    39 S   CO4  _C5_    41     1.50621   111.27742    72.71479
   42    41 S   O    _O19    42     1.22211   125.64314   -66.55495
   43    41 S   OS   _O21    43     1.35682   110.98338   112.37087
   44    43 S   CT   _C15    44     1.43687   112.73477     4.81064
   45    44 S   HC   _H36    45     1.09926   104.23769   118.30931
   46    39 S   CT   _C13    46     1.54312   116.18007  -170.32862
   47    46 S   HC   _H34    47     1.10269   104.74867   143.10862
   48    44 S   CT   _C16    66     1.54730   111.63545  -126.43404
   49    46 S   CT   _C9_    48     1.53222   115.46659    28.45105
   50    49 S   HC   _H28    49     1.09911   106.84573    59.99475
   51    49 S   HC   _H29    50     1.09086   112.18885   -54.73332
   52    48 S   CT   _C20    67     1.54259   115.32000    60.53552
   53    52 S   HC   _H45    68     1.09591   111.27957  -176.98182
   54    52 S   HC   _H46    69     1.08836   111.34270    61.95681
   55    49 S   CT   _C10    51     1.52450   115.05987   178.72789
   56    55 S   HC   _H30    52     1.09833   107.90937  -154.17527
   57    55 S   HC   _H31    53     1.09747   109.69003   -39.61821
   58    52 S   OS   _O22    70     1.44094   110.62124   -57.30903
   59    55 S   CT   _C14    54     1.53808   115.70357    85.06806
   60    59 S   HC   _H35    55     1.10123   104.79014  -179.46077
   61    58 S   CO4  _C6_    71     1.36214   116.01895   178.54451
   62    61 S   O    _O20    72     1.22311   126.16246     0.48578
   63    59 S   CT   _C12    56     1.53686   112.17540   -65.89632
   64    63 S   HC   _H33    57     1.10429   104.17490   -59.70814
   65    61 S   CT   _C17    73     1.49789   109.54833  -178.81982
   66    65 S   HC   _H37    74     1.09284   109.85107   -60.39909
   67    65 S   HC   _H38    75     1.09373   109.35431  -179.47288
   68    65 S   HC   _H39    76     1.09298   109.77475    61.48537
   69    59 S   CT   _C18    77     1.53076   112.52358    67.99771
   70    69 S   HC   _H40    78     1.08915   113.64074   -65.86694
   71    69 S   HC   _H41    79     1.09398   111.33110   171.95548
   72    69 S   HC   _H42    80     1.09622   110.00623    53.93252
   73    63 S   CT   _C8_    58     1.53334   114.16112  -173.36747
   74    73 S   HC   _H26    59     1.09484   112.25695    60.81060
   75    73 S   HC   _H27    60     1.09477   112.06258   -60.54731
   76    73 S   CT   _C7_    61     1.52062   103.56941  -179.05872
   77    76 S   HC   _H24    62     1.09386   111.33001   -86.83527
   78    76 S   HC   _H25    63     1.09216   111.80360   148.71691
   79    76 S   CO4  _C4_    64     1.51040   102.71216    29.48361
   80    79 S   O    _O18    65     1.22592   122.06443   174.04774
  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  19   7  12   5  20
   9   5   4  13   5   4  11   5   4   8  12   7   5   4  13   6
   3   2   1   1   4   2   1   1   7   5   4   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    49  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    49    50    51    55    48  
   41    42    43    44    46    47    49  
   42    43    44    45    46    47    49    48  
   43    44    46  
   44    45    46    47    49    63    79    48    52  
   45    46    47    49    50    51    55    59    63    64    73    76    79    80    48    52    53    54    58  
   46    47    49    63    79    48    52  
   47    49    50    51    55    56    57    59    63    79    48    52  
   49    50    51    55    48  
   52    53    54    58    61    69    49    55    59    60    63    64    73    74    75    76    77    78    79    80  
   50    51    55    56    57    59    60    63    69  
   51    55    56    57    59  
   55    56    57    59  
   53    54    58    61    62    65    59    63    64    73    76    79    80  
   54    58    61    63    79  
   58    61    63    79  
   56    57    59    60    63    64    73    69    70    71    72  
   57    59    60    63    69  
   59    60    63    69  
   61    62    65    66    67    68    63    79  
   60    63    64    73    74    75    76    79    69    70    71    72  
   63    64    73    69    70    71    72  
   62    65    66    67    68  
   65    66    67    68  
   64    73    74    75    76    77    78    79    80    69    70    71    72  
   73    74    75    76    79    69  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77    78    79  
   76    77    78    79  
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   268.000  1.529
   46    47   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    69   268.000  1.529
   63    64   340.000  1.090
   63    73   268.000  1.529
   63    48   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   317.000  1.522
   79    80   570.000  1.229
   79    48   317.000  1.522
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    58   320.000  1.410
   58    61   214.000  1.327
   61    62   570.000  1.229
   61    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    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    49    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    49    58.35000  112.70000
   44    48    63    58.35000  112.70000
   44    48    79    63.00000  111.10000
   44    48    52    58.35000  112.70000
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    55    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    63    58.35000  112.70000
   55    59    69    58.35000  112.70000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    73    58.35000  112.70000
   59    63    48    58.35000  112.70000
   59    69    70    37.50000  110.70000
   59    69    71    37.50000  110.70000
   59    69    72    37.50000  110.70000
   63    59    60    37.50000  110.70000
   63    73    74    37.50000  110.70000
   63    73    75    37.50000  110.70000
   63    73    76    58.35000  112.70000
   63    48    79    63.00000  111.10000
   63    48    52    58.35000  112.70000
   73    63    64    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    63.00000  111.10000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    80.00000  120.40000
   76    79    48    70.00000  116.00000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    48    52    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    63    64    37.50000  110.70000
   48    63    73    58.35000  112.70000
   48    79    80    80.00000  120.40000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    58    50.00000  109.50000
   52    58    61    83.00000  116.90000
   54    52    53    33.00000  107.80000
   58    52    53    35.00000  109.50000
   58    52    54    35.00000  109.50000
   58    61    62    83.00000  123.40000
   58    61    65    81.00000  111.40000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    68    35.00000  109.50000
   65    61    62    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    59    60    37.50000  110.70000
   69    59    63    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    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    49   0.56750  1.0 1.0
   33    39    46    49  -0.07550 -1.0 2.0
   33    39    46    49   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    49    50   0.15000  1.0 3.0
   39    46    49    51   0.15000  1.0 3.0
   39    46    49    55   0.56750  1.0 1.0
   39    46    49    55  -0.07550 -1.0 2.0
   39    46    49    55   0.20000  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    49   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    49  -0.95700  1.0 1.0
   41    39    46    49  -0.18200 -1.0 2.0
   41    39    46    49   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    49   0.62750  1.0 1.0
   43    44    46    49  -0.30950 -1.0 2.0
   43    44    46    49   0.27300  1.0 3.0
   43    44    48    63   0.62750  1.0 1.0
   43    44    48    63  -0.30950 -1.0 2.0
   43    44    48    63   0.27300  1.0 3.0
   43    44    48    79  -0.09450  1.0 1.0
   43    44    48    79  -1.12950 -1.0 2.0
   43    44    48    79   0.54000  1.0 3.0
   43    44    48    52   0.62750  1.0 1.0
   43    44    48    52  -0.30950 -1.0 2.0
   43    44    48    52   0.27300  1.0 3.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    51   0.15000  1.0 3.0
   44    46    49    55   0.56750  1.0 1.0
   44    46    49    55  -0.07550 -1.0 2.0
   44    46    49    55   0.20000  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    54   0.15000  1.0 3.0
   44    48    52    58   0.62750  1.0 1.0
   44    48    52    58  -0.30950 -1.0 2.0
   44    48    52    58   0.27300  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    49   0.15000  1.0 3.0
   45    44    48    63   0.15000  1.0 3.0
   45    44    48    79  -0.11250  1.0 3.0
   45    44    48    52   0.15000  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    63   0.56750  1.0 1.0
   46    44    48    63  -0.07550 -1.0 2.0
   46    44    48    63   0.20000  1.0 3.0
   46    44    48    79  -0.95700  1.0 1.0
   46    44    48    79  -0.18200 -1.0 2.0
   46    44    48    79   0.29450  1.0 3.0
   46    44    48    52   0.56750  1.0 1.0
   46    44    48    52  -0.07550 -1.0 2.0
   46    44    48    52   0.20000  1.0 3.0
   46    49    55    56   0.15000  1.0 3.0
   46    49    55    57   0.15000  1.0 3.0
   46    49    55    59   0.56750  1.0 1.0
   46    49    55    59  -0.07550 -1.0 2.0
   46    49    55    59   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    55   0.15000  1.0 3.0
   49    55    59    60   0.15000  1.0 3.0
   49    55    59    63   0.56750  1.0 1.0
   49    55    59    63  -0.07550 -1.0 2.0
   49    55    59    63   0.20000  1.0 3.0
   49    55    59    69   0.56750  1.0 1.0
   49    55    59    69  -0.07550 -1.0 2.0
   49    55    59    69   0.20000  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    59   0.15000  1.0 3.0
   51    49    55    56   0.15000  1.0 3.0
   51    49    55    57   0.15000  1.0 3.0
   51    49    55    59   0.15000  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    73   0.56750  1.0 1.0
   55    59    63    73  -0.07550 -1.0 2.0
   55    59    63    73   0.20000  1.0 3.0
   55    59    63    48   0.56750  1.0 1.0
   55    59    63    48  -0.07550 -1.0 2.0
   55    59    63    48   0.20000  1.0 3.0
   55    59    69    70   0.15000  1.0 3.0
   55    59    69    71   0.15000  1.0 3.0
   55    59    69    72   0.15000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   56    55    59    69   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    63   0.15000  1.0 3.0
   57    55    59    69   0.15000  1.0 3.0
   59    63    73    74   0.15000  1.0 3.0
   59    63    73    75   0.15000  1.0 3.0
   59    63    73    76   0.56750  1.0 1.0
   59    63    73    76  -0.07550 -1.0 2.0
   59    63    73    76   0.20000  1.0 3.0
   59    63    48    44   0.56750  1.0 1.0
   59    63    48    44  -0.07550 -1.0 2.0
   59    63    48    44   0.20000  1.0 3.0
   59    63    48    79  -0.95700  1.0 1.0
   59    63    48    79  -0.18200 -1.0 2.0
   59    63    48    79   0.29450  1.0 3.0
   59    63    48    52   0.56750  1.0 1.0
   59    63    48    52  -0.07550 -1.0 2.0
   59    63    48    52   0.20000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    73   0.15000  1.0 3.0
   60    59    63    48   0.15000  1.0 3.0
   60    59    69    70   0.15000  1.0 3.0
   60    59    69    71   0.15000  1.0 3.0
   60    59    69    72   0.15000  1.0 3.0
   63    59    69    70   0.15000  1.0 3.0
   63    59    69    71   0.15000  1.0 3.0
   63    59    69    72   0.15000  1.0 3.0
   63    73    76    77   0.15000  1.0 3.0
   63    73    76    78   0.15000  1.0 3.0
   63    73   -76    79  -0.95700  1.0 1.0
   63    73   -76    79  -0.18200 -1.0 2.0
   63    73   -76    79   0.29450  1.0 3.0
   63    48    52    53   0.15000  1.0 3.0
   63    48    52    54   0.15000  1.0 3.0
   63    48    52    58   0.62750  1.0 1.0
   63    48    52    58  -0.30950 -1.0 2.0
   63    48    52    58   0.27300  1.0 3.0
   64    63    73    74   0.15000  1.0 3.0
   64    63    73    75   0.15000  1.0 3.0
   64    63    73    76   0.15000  1.0 3.0
   64    63    48    44   0.15000  1.0 3.0
   64    63    48    79  -0.11250  1.0 3.0
   64    63    48    52   0.15000  1.0 3.0
   73    63    48    44   0.56750  1.0 1.0
   73    63    48    44  -0.07550 -1.0 2.0
   73    63    48    44   0.20000  1.0 3.0
   73    63   -48    79  -0.95700  1.0 1.0
   73    63   -48    79  -0.18200 -1.0 2.0
   73    63   -48    79   0.29450  1.0 3.0
   73    63    48    52   0.56750  1.0 1.0
   73    63    48    52  -0.07550 -1.0 2.0
   73    63    48    52   0.20000  1.0 3.0
   73    76    79    80   0.30150 -1.0 2.0
   73    76   -79    48   0.60050  1.0 1.0
   73    76   -79    48   0.05600 -1.0 2.0
   73    76   -79    48   0.26150  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79  -0.11250  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79  -0.11250  1.0 3.0
   76    79    48    44   0.60050  1.0 1.0
   76    79    48    44   0.05600 -1.0 2.0
   76    79    48    44   0.26150  1.0 3.0
   76    79   -48    63   0.60050  1.0 1.0
   76    79   -48    63   0.05600 -1.0 2.0
   76    79   -48    63   0.26150  1.0 3.0
   76    79    48    52   0.60050  1.0 1.0
   76    79    48    52   0.05600 -1.0 2.0
   76    79    48    52   0.26150  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    48   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    48   0.00000  1.0 1.0
   79    48    52    53  -0.11250  1.0 3.0
   79    48    52    54  -0.11250  1.0 3.0
   79    48    52    58  -0.09450  1.0 1.0
   79    48    52    58  -1.12950 -1.0 2.0
   79    48    52    58   0.54000  1.0 3.0
   80    79    48    44   0.30150 -1.0 2.0
   80    79    48    63   0.30150 -1.0 2.0
   80    79    48    52   0.30150 -1.0 2.0
   48    44    46    39   0.56750  1.0 1.0
   48    44    46    39  -0.07550 -1.0 2.0
   48    44    46    39   0.20000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    49   0.56750  1.0 1.0
   48    44    46    49  -0.07550 -1.0 2.0
   48    44    46    49   0.20000  1.0 3.0
   48    63    73    74   0.15000  1.0 3.0
   48    63    73    75   0.15000  1.0 3.0
   48    63   -73    76   0.56750  1.0 1.0
   48    63   -73    76  -0.07550 -1.0 2.0
   48    63   -73    76   0.20000  1.0 3.0
   48    52    58    61  -0.25900  1.0 1.0
   48    52    58    61  -0.47000 -1.0 2.0
   48    52    58    61   0.11750  1.0 3.0
   52    58    61    62   3.00000 -1.0 2.0
   52    58    61    65   1.63150  1.0 1.0
   52    58    61    65   2.92000 -1.0 2.0
   53    52    58    61   0.08050  1.0 3.0
   54    52    58    61   0.08050  1.0 3.0
   58    61    65    66   0.00000  1.0 1.0
   58    61    65    67   0.00000  1.0 1.0
   58    61    65    68   0.00000  1.0 1.0
   62    61    65    66   0.00000  1.0 1.0
   62    61    65    67   0.00000  1.0 1.0
   62    61    65    68   0.00000  1.0 1.0
   69    59    63    64   0.15000  1.0 3.0
   69    59    63    73   0.56750  1.0 1.0
   69    59    63    73  -0.07550 -1.0 2.0
   69    59    63    73   0.20000  1.0 3.0
   69    59    63    48   0.56750  1.0 1.0
   69    59    63    48  -0.07550 -1.0 2.0
   69    59    63    48   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   76    48    79    80  10.50000 -1.0 2.0
   58    65    61    62  10.50000 -1.0 2.0
END
