* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    150    238     429
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02043    37.82988   126.44575
    3     1 S   H    _H1_     3     1.02163    77.17856   -87.67301
    4     1 S   H    _H2_     4     1.02091   100.48203    19.32041
    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     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C14    36     1.84581    97.43794  -158.13304
   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   CO4  _C7_    37     1.53971   107.61065    59.96471
   38    37 S   O    _O21    38     1.23021   123.17389    31.90655
   39    33 S   CT   _C16    75     1.53760   108.08406   175.63780
   40    39 S   HC   _H32    76     1.08506   109.32299    64.15849
   41    39 S   HC   _H33    77     1.08563   109.30514   -55.84019
   42    39 S   HC   _H34    78     1.08534   109.27796  -175.78969
   43    37 S   CM   _C5_    39     1.47885   116.71015  -153.25772
   44    43 S   CM   _C4_    40     1.33530   123.42892     8.37900
   45    44 S   CO4  _C6_    41     1.47139   121.96752     2.19473
   46    45 S   O    _O20    42     1.22902   120.06648  -168.96574
   47    44 S   CT   _C10    48     1.51471   111.53933  -178.72974
   48    47 S   HC   _H28    49     1.09821   108.63381   120.00619
   49    33 S   CT1  _C11    43     1.55034   109.08110   -60.62384
   50    49 S   HC   _H29    44     1.09947   109.91019    51.02952
   51    47 S   CO   _C15    50     1.56008   101.93404     4.17758
   52    47 S   CT   _C18    66     1.52519   112.28166  -120.01126
   53    52 S   HC   _H38    67     1.09025   109.97724   160.00588
   54    52 S   HC   _H39    68     1.09060   110.00038    39.09955
   55    49 S   NT   _N19    45     1.46412   113.39928   -70.24156
   56    55 S   H    _H43    46     0.99477   117.92421  -154.51546
   57    55 S   H    _H44    47     0.99583   117.85881    38.93161
   58    51 S   C3T  _C13    51     1.49876   120.11002  -121.64655
   59    58 S   HC   _H31    52     1.07900   116.25649   -92.35267
   60    51 S   OS   _O24    61     1.42786   108.70261   111.41242
   61    52 S   OS   _O23    69     1.41643   108.61731   -80.45936
   62    58 S   C3T  _C12    53     1.49833   107.02306   130.24536
   63    62 S   HC   _H30    54     1.07718   120.74408   133.97736
   64    60 S   CT   _C17    62     1.41928   111.30742   -79.97198
   65    64 S   HC   _H35    63     1.09291   109.52306   180.00000
   66    64 S   HC   _H36    64     1.09296   109.50727    59.16696
   67    64 S   HC   _H37    65     1.09273   108.97075   -60.40052
   68    61 S   CO4  _C8_    70     1.37102   116.33380   179.98022
   69    68 S   O    _O22    71     1.22576   124.73907     0.01978
   70    62 S   CT   _C9_    55     1.50408   109.56364    -5.89634
   71    70 S   HC   _H26    56     1.09363   110.65726   112.60862
   72    70 S   HC   _H27    57     1.09473   110.54937  -125.97373
   73    58 S   NTH  _N16    59     1.45965   123.66948    66.85716
   74    73 S   H    _H40    60     1.01878   110.91983   -12.31179
   75    68 S   N    _N18    72     1.37309   110.95915   180.00000
   76    75 S   H    _H41    73     1.01422   119.31751   179.96574
   77    75 S   H    _H42    74     1.01433   121.37561     0.04423
   78    43 S   NE   _N17    58     1.37580   125.01070  -169.27479
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  16   2   1   1  15   5   8   3   2   1  15  16  11   4  16   8
   4   3  19   9   3   2   2   1   1  11   7   8   5   7   6   4
   2   1   1   4   3   5   3   2   2   1   2   1   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    49    50    55    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    46    49    50    55    56    57    78    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    49    50    55    47    51    70    78    39    40    41    42  
   43    44    49    78    39  
   40    41    42    43    45    49    50    55  
   41    42    49  
   42    49  
   49  
   44    45    46    49    47    48    51    58    62    70    71    72    78    60    52  
   45    46    49    50    55    47    48    51    58    70    78    60    52    53    54    61  
   46    49    50    55    56    57    47    48    51    78    52  
   49    50    55    47  
   48    51    58    59    62    70    78    73    60    64    52    53    54    61    68    49  
   51    58    78    60    52    53    54    61  
   50    55    56    57  
   55    56    57  
   58    59    62    63    70    71    72    78    73    74    60    64    65    66    67    52    53    54    61  
   53    54    61    68    69    75    58    60    78  
   54    61    68  
   61    68  
   56    57  
   57  
    0  
   59    62    63    70    71    72    78    73    74    60    64  
   62    63    70    78    73    74    60  
   64    65    66    67    62    70    73    78  
   68    69    75    76    77  
   63    70    71    72    78    73    74  
   70    71    72    78    73    74  
   65    66    67    78  
   66    67  
   67  
    0  
   69    75    76    77  
   75    76    77  
   71    72    78    73    74  
   72    78    73  
   78    73  
   74    78  
    0  
   76    77  
   77  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   56   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   57   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   70   3.5000   0.0660   0.115300   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   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   74   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   76   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   77   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   78   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
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  1.522
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    43   320.000  1.462
   43    44   549.000  1.340
   43    78   425.000  1.378
   44    45   320.000  1.462
   44    47   317.000  1.510
   45    46   570.000  1.229
   45    49   255.000  1.522
   49    50   340.000  1.090
   49    55   305.000  1.457
   55    56   434.000  1.010
   55    57   434.000  1.010
   47    48   340.000  1.090
   47    51   250.000  1.527
   47    52   268.000  1.529
   51    58   275.000  1.510
   51    78   320.000  1.442
   51    60   320.000  1.380
   58    59   340.000  1.088
   58    62   260.000  1.509
   58    73   315.000  1.448
   62    63   340.000  1.088
   62    70   275.000  1.510
   62    73   315.000  1.448
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   382.000  1.448
   73    74   500.000  1.015
   60    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   320.000  1.410
   61    68   214.000  1.327
   68    69   570.000  1.229
   68    75   435.000  1.380
   75    76   434.000  1.010
   75    77   434.000  1.010
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  110.18000
   29    33    49    75.00000  108.68000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  118.62400
   33    49    45    70.00000  110.61500
   33    49    50    37.50000  110.70000
   33    49    55    80.00000  111.22000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  118.96000
   37    43    78    70.00000  117.92000
   43    37    38    80.00000  123.72100
   43    44    45    65.00000  118.96000
   43    44    47    70.00000  124.00000
   43    78    51    50.00000  121.00000
   43    78    70    50.00000  121.00000
   44    45    46    80.00000  123.72100
   44    45    49    65.00000  118.62400
   44    47    48    35.00000  109.50000
   44    47    51    70.00000  112.02700
   44    47    52    70.00000  112.02700
   45    49    50    45.00000  110.09800
   45    49    55    75.00000  112.91400
   49    33    37    63.00000  111.10000
   49    45    46    75.00000  123.42600
   49    55    56    50.00000  111.55300
   49    55    57    50.00000  111.55300
   55    49    50    50.00000  109.55000
   57    55    56    43.60000  106.40000
   47    44    45    65.00000  116.34900
   47    51    58    65.00000  112.71400
   47    51    78    85.00000  109.98000
   47    51    60    90.00000  108.56700
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    61    50.00000  109.50000
   51    47    48    45.00000  108.72000
   51    58    59    40.00000  115.04500
   51    58    62    60.00000  120.94000
   51    58    73    80.00000  104.84000
   51    78    70    50.00000  115.00000
   51    60    64    60.00000  109.50000
   58    62    63    37.50000  117.20000
   58    62    70    60.00000  120.94000
   58    62    73    30.00000   60.00000
   58    73    62    10.00000   60.00000
   58    73    74    50.00000  109.23200
   62    58    59    37.50000  117.20000
   62    70    71    45.00000  109.38400
   62    70    72    45.00000  109.38400
   62    70    78    80.00000  111.61500
   62    73    74    50.00000  109.23200
   70    62    63    40.00000  115.04500
   72    70    71    33.00000  107.80000
   78    43    44    70.00000  124.03900
   78    51    58    85.00000  109.98000
   78    70    71    35.00000  109.50000
   78    70    72    35.00000  109.50000
   73    58    59    50.00000  110.59500
   73    58    62    30.00000   60.00000
   73    62    63    50.00000  110.59500
   73    62    70    80.00000  111.29100
   60    51    58    90.00000  108.56700
   60    51    78    95.00000  112.71300
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    51    75.00000  109.43000
   52    61    68    83.00000  116.90000
   54    52    53    33.00000  107.80000
   61    52    53    35.00000  109.50000
   61    52    54    35.00000  109.50000
   61    68    69    83.00000  123.40000
   61    68    75   110.00000  108.75700
   68    75    76    50.00000  116.34900
   68    75    77    50.00000  116.34900
   75    68    69    85.00000  125.96000
   77    75    76    35.00000  120.00000
   39    33    37    63.00000  111.10000
   39    33    49    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    49    45  -2.17200  1.0 1.0
   29    33    49    45  -0.85700 -1.0 2.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44  -0.33500  1.0 1.0
   33    37    43    44   1.06600 -1.0 2.0
   33    37    43    44  -0.14000  1.0 3.0
   33    37    43    78   1.50000 -1.0 2.0
   33    49    55    56  -0.05950  1.0 1.0
   33    49    55    56   0.08850 -1.0 2.0
   33    49    55    56   0.11750  1.0 3.0
   33    49    55    57  -0.05950  1.0 1.0
   33    49    55    57   0.08850 -1.0 2.0
   33    49    55    57   0.11750  1.0 3.0
   37    33    49    45  -0.84850  1.0 1.0
   37    33    49    45  -0.22800 -1.0 2.0
   37    33    49    45   0.29250  1.0 3.0
   37    33    49    50  -0.03800  1.0 3.0
   37    33    49    55  -3.56550  1.0 1.0
   37    33    49    55  -0.67500 -1.0 2.0
   37    33    49    55   1.11300  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    43   -44    45   7.00000 -1.0 2.0
   37    43    44    47   7.00000 -1.0 2.0
   37    43    78    51   1.00000 -1.0 2.0
   37    43    78    70   1.00000 -1.0 2.0
   38    37    43    44   1.00000 -1.0 2.0
   38    37    43    78  -0.52200  1.0 1.0
   38    37    43    78   0.82950 -1.0 2.0
   43    44    45    46   1.00000 -1.0 2.0
   43    44    45    49  -0.33500  1.0 1.0
   43    44    45    49   1.06600 -1.0 2.0
   43    44    45    49  -0.14000  1.0 3.0
   43    44    47    48   0.00000  1.0 1.0
   43    44   -47    51   0.09850  1.0 1.0
   43    44   -47    51   0.15250 -1.0 2.0
   43    44   -47    51  -0.50650  1.0 3.0
   43    44    47    52   0.09850  1.0 1.0
   43    44    47    52   0.15250 -1.0 2.0
   43    44    47    52  -0.50650  1.0 3.0
   44    43   -78    51  -0.54700  1.0 1.0
   44    43   -78    51   1.23000 -1.0 2.0
   44    43    78    70  -0.54700  1.0 1.0
   44    43    78    70   1.23000 -1.0 2.0
   44    45   -49    33   0.65300  1.0 1.0
   44    45   -49    33  -0.03850 -1.0 2.0
   44    45   -49    33   0.33900  1.0 3.0
   44    45    49    50   0.00000  1.0 1.0
   44    45    49    55   0.65300  1.0 1.0
   44    45    49    55  -0.03850 -1.0 2.0
   44    45    49    55   0.33900  1.0 3.0
   44    47    51    58   0.34400  1.0 1.0
   44    47    51    58   0.09450 -1.0 2.0
   44    47    51    58   0.11100  1.0 3.0
   44    47   -51    78   0.21700  1.0 1.0
   44    47   -51    78   0.68550 -1.0 2.0
   44    47   -51    78  -0.27950  1.0 3.0
   44    47    51    60   0.61850  1.0 1.0
   44    47    51    60  -0.22750 -1.0 2.0
   44    47    51    60   0.15300  1.0 3.0
   44    47    52    53   0.15000  1.0 3.0
   44    47    52    54   0.15000  1.0 3.0
   44    47    52    61   0.61850  1.0 1.0
   44    47    52    61  -0.22750 -1.0 2.0
   44    47    52    61   0.15300  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    51   0.09700  1.0 1.0
   45    44    47    51   0.15600 -1.0 2.0
   45    44    47    51  -0.50800  1.0 3.0
   45    44    47    52   0.09700  1.0 1.0
   45    44    47    52   0.15600 -1.0 2.0
   45    44    47    52  -0.50800  1.0 3.0
   45    49    55    56   0.21900  1.0 1.0
   45    49    55    56  -0.24900 -1.0 2.0
   45    49    55    56   0.15200  1.0 3.0
   45    49    55    57   0.21900  1.0 1.0
   45    49    55    57  -0.24900 -1.0 2.0
   45    49    55    57   0.15200  1.0 3.0
   46    45    49    33   0.00000  1.0 1.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    55   0.30150 -1.0 2.0
   49    33    37    38   0.30150 -1.0 2.0
   49    33   -37    43   0.65300  1.0 1.0
   49    33   -37    43  -0.03850 -1.0 2.0
   49    33   -37    43   0.33900  1.0 3.0
   49    33    39    40   0.15000  1.0 3.0
   49    33    39    41   0.15000  1.0 3.0
   49    33    39    42   0.15000  1.0 3.0
   50    49    55    56   0.20000  1.0 3.0
   50    49    55    57   0.20000  1.0 3.0
   47    44    45    46  -0.64400  1.0 1.0
   47    44    45    46   0.26850 -1.0 2.0
   47    44    45    49   0.25700  1.0 1.0
   47    44    45    49   0.66200 -1.0 2.0
   47    44    45    49   0.04450  1.0 3.0
   47    51    58    59   0.15000  1.0 3.0
   47    51    58    62   0.07850  1.0 1.0
   47    51    58    62  -0.03950 -1.0 2.0
   47    51    58    62   0.67350  1.0 3.0
   47    51    58    73   1.53400  1.0 1.0
   47    51    58    73  -0.09950 -1.0 2.0
   47    51    58    73   0.05700  1.0 3.0
   47    51   -78    43   0.25450  1.0 1.0
   47    51   -78    43  -0.61700 -1.0 2.0
   47    51   -78    43  -0.23550  1.0 3.0
   47    51    78    70   0.00000  1.0 1.0
   47    51    60    64   0.06250  1.0 1.0
   47    51    60    64  -0.01100 -1.0 2.0
   47    51    60    64   0.28050  1.0 3.0
   47    52    61    68  -0.25900  1.0 1.0
   47    52    61    68  -0.47000 -1.0 2.0
   47    52    61    68   0.11750  1.0 3.0
   48    47    51    58   0.15000  1.0 3.0
   48    47    51    78   0.22950  1.0 3.0
   48    47    51    60   0.23400  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    61   0.23400  1.0 3.0
   51    47    52    53   0.15000  1.0 3.0
   51    47    52    54   0.15000  1.0 3.0
   51    47    52    61   0.62750  1.0 1.0
   51    47    52    61  -0.30950 -1.0 2.0
   51    47    52    61   0.27300  1.0 3.0
   51    58    62    63   0.15000  1.0 3.0
   51    58   -62    70   3.97050  1.0 1.0
   51    58   -62    73   1.53400  1.0 1.0
   51    58   -62    73  -0.09950 -1.0 2.0
   51    58   -62    73   0.05700  1.0 3.0
   51    58   -73    62  -0.35450  1.0 1.0
   51    58   -73    62   0.44050 -1.0 2.0
   51    58   -73    62   0.77100  1.0 3.0
   51    58    73    74   0.03200  1.0 1.0
   51    58    73    74   0.33800 -1.0 2.0
   51    60    64    65   0.37050  1.0 3.0
   51    60    64    66   0.37050  1.0 3.0
   51    60    64    67   0.37050  1.0 3.0
   58    51    78    43   0.25450  1.0 1.0
   58    51    78    43  -0.61700 -1.0 2.0
   58    51    78    43  -0.23550  1.0 3.0
   58    51   -78    70   0.00000  1.0 1.0
   58    51    60    64   0.06250  1.0 1.0
   58    51    60    64  -0.01100 -1.0 2.0
   58    51    60    64   0.28050  1.0 3.0
   58    62    70    71   0.15000  1.0 3.0
   58    62    70    72   0.15000  1.0 3.0
   58    62   -70    78   1.26750  1.0 1.0
   58    62   -70    78  -0.00950 -1.0 2.0
   58    62   -70    78   0.30600  1.0 3.0
   58    62   -73    74   0.03200  1.0 1.0
   58    62   -73    74   0.33800 -1.0 2.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    70   0.15000  1.0 3.0
   59    58   -62    73   0.15000  1.0 3.0
   59    58   -73    62   0.28000  1.0 3.0
   59    58    73    74   0.20000  1.0 3.0
   62    58   -73    74   0.03200  1.0 1.0
   62    58   -73    74   0.33800 -1.0 2.0
   62    70    78    43   0.25450  1.0 1.0
   62    70    78    43  -0.61700 -1.0 2.0
   62    70    78    43  -0.23550  1.0 3.0
   62    70   -78    51   0.00000  1.0 1.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    78   0.22950  1.0 3.0
   63    62   -73    58   0.28000  1.0 3.0
   63    62    73    74   0.20000  1.0 3.0
   70    62   -73    58  -0.35450  1.0 1.0
   70    62   -73    58   0.44050 -1.0 2.0
   70    62   -73    58   0.77100  1.0 3.0
   70    62    73    74   0.03200  1.0 1.0
   70    62    73    74   0.33800 -1.0 2.0
   71    70    78    43   0.00000  1.0 1.0
   71    70    78    51   0.00000  1.0 1.0
   72    70    78    43   0.00000  1.0 1.0
   72    70    78    51   0.00000  1.0 1.0
   78    43    44    45   7.00000 -1.0 2.0
   78    43   -44    47   7.00000 -1.0 2.0
   78    51    58    59   0.22950  1.0 3.0
   78    51   -58    62   1.26750  1.0 1.0
   78    51   -58    62  -0.00950 -1.0 2.0
   78    51   -58    62   0.30600  1.0 3.0
   78    51    58    73   4.29400  1.0 1.0
   78    51    58    73   0.12050 -1.0 2.0
   78    51    60    64  -0.25000  1.0 1.0
   78    51    60    64  -0.75000 -1.0 2.0
   78    51    60    64   0.50000  1.0 3.0
   73    58   -62    63   0.15000  1.0 3.0
   73    58   -62    70   1.53400  1.0 1.0
   73    58   -62    70  -0.09950 -1.0 2.0
   73    58   -62    70   0.05700  1.0 3.0
   73    62    70    71   0.15000  1.0 3.0
   73    62    70    72   0.15000  1.0 3.0
   73    62   -70    78   4.29400  1.0 1.0
   73    62   -70    78   0.12050 -1.0 2.0
   60    51    58    59   0.23400  1.0 3.0
   60    51    58    62  -0.26800  1.0 1.0
   60    51    58    62   0.69150 -1.0 2.0
   60    51    58    62  -0.48750  1.0 3.0
   60    51    58    73   2.01850  1.0 1.0
   60    51    58    73  -0.32950 -1.0 2.0
   60    51    58    73  -0.50350  1.0 3.0
   60    51    78    43   0.75000  1.0 1.0
   60    51    78    43  -0.75000 -1.0 2.0
   60    51    78    70   0.00000  1.0 1.0
   52    47    51    58   0.47050  1.0 1.0
   52    47    51    58   0.03900 -1.0 2.0
   52    47    51    58   0.20100  1.0 3.0
   52    47    51    78   1.26750  1.0 1.0
   52    47    51    78  -0.00950 -1.0 2.0
   52    47    51    78   0.30600  1.0 3.0
   52    47    51    60   0.62750  1.0 1.0
   52    47    51    60  -0.30950 -1.0 2.0
   52    47    51    60   0.27300  1.0 3.0
   52    61    68    69   3.00000 -1.0 2.0
   52    61    68    75  -0.80800  1.0 1.0
   52    61    68    75   2.06850 -1.0 2.0
   53    52    61    68   0.08050  1.0 3.0
   54    52    61    68   0.08050  1.0 3.0
   61    68    75    76   2.56700 -1.0 2.0
   61    68    75    77   2.56700 -1.0 2.0
   69    68    75    76   2.45000 -1.0 2.0
   69    68    75    77   2.45000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    43   0.65300  1.0 1.0
   39    33    37    43  -0.03850 -1.0 2.0
   39    33    37    43   0.33900  1.0 3.0
   39    33    49    45  -0.84850  1.0 1.0
   39    33    49    45  -0.22800 -1.0 2.0
   39    33    49    45   0.29250  1.0 3.0
   39    33    49    50   0.15000  1.0 3.0
   39    33    49    55   1.53400  1.0 1.0
   39    33    49    55  -0.09950 -1.0 2.0
   39    33    49    55   0.05700  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   37    78    43    44   1.10000 -1.0 2.0
   45    47    44    43   1.10000 -1.0 2.0
   44    49    45    46  10.50000 -1.0 2.0
   70    43    78    51   1.00000 -1.0 2.0
   61    75    68    69  10.50000 -1.0 2.0
   77    68    75    76   1.00000 -1.0 2.0
END
