* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    158    239     459
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02113    97.46398   -55.30809
    3     1 S   H    _H1_     3     1.02045    81.84943    52.61043
    4     1 S   H    _H2_     4     1.02174    35.12204  -167.39137
    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     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   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   _C24    36     1.85964    96.97228   159.99134
   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  _C14    37     1.54473   106.85467   -60.00924
   38    37 S   O    _O25    38     1.22530   125.48590   -23.62800
   39    33 S   CT   _C22    76     1.54509   106.03674  -174.96052
   40    39 S   HC   _H49    77     1.09677   112.52280   -65.84782
   41    39 S   HC   _H50    78     1.09692   111.50065   172.84007
   42    39 S   HC   _H51    79     1.09705   111.01166    54.06497
   43    33 S   CT   _C23    80     1.58104   113.92781    60.78082
   44    43 S   OM   _O22    81     1.32527   110.38798    38.90493
   45    43 S   HC   _H52    82     1.10109   105.38569   -89.39257
   46    37 S   OS   _O29    39     1.37284   110.38491   158.14609
   47    43 S   CT   _C21    83     1.54672   112.70807   157.86334
   48    47 S   HC   _H46    84     1.09710   113.26875   -66.32917
   49    47 S   HC   _H47    85     1.09559   111.04230    54.71337
   50    47 S   HC   _H48    86     1.09767   110.94324   173.08386
   51    46 S   CT   _C16    40     1.43369   116.11958   178.21162
   52    51 S   HC   _H36    41     1.07380   108.69195     0.03426
   53    51 S   CT   _C15    42     1.52997   109.28151  -118.77175
   54    53 S   HC   _H35    43     1.10853   107.10094   163.50568
   55    53 S   CA   _C7_    44     1.51051   110.73543   -75.26636
   56    53 S   OS   _O28    69     1.42533   107.83747    49.11785
   57    55 S   CA   _C8_    45     1.40165   120.02923   -17.82336
   58    56 S   CO4  _C13    70     1.36592   115.69904    84.69519
   59    58 S   O    _O24    71     1.22353   126.16855    -0.04423
   60    57 S   CA   _C5_    46     1.40064   120.66622   179.59170
   61    60 S   HA   _H32    47     1.08755   120.21333  -177.95034
   62    57 S   OS   _O27    59     1.37170   124.41620     0.10468
   63    58 S   CT   _C18    72     1.49924   109.77160   179.98022
   64    63 S   HC   _H37    73     1.09234   109.82202   -90.04107
   65    63 S   HC   _H38    74     1.09338   109.78869   148.09016
   66    63 S   HC   _H39    75     1.09331   109.36128    29.09231
   67    60 S   CA   _C4_    48     1.39381   120.55769     1.80927
   68    67 S   HA   _H31    49     1.08749   119.24493  -179.51463
   69    51 S   CT   _C17    60     1.53893   109.02789   119.38757
   70    67 S   CA   _C6_    50     1.39430   119.85174     0.31590
   71    69 S   CT   _C19    61     1.53724   112.49080  -174.64613
   72    71 S   HC   _H40    62     1.08440   109.17998   179.98022
   73    71 S   HC   _H41    63     1.08493   109.22419    60.01954
   74    71 S   HC   _H42    64     1.08479   109.18494   -60.04029
   75    69 S   CT   _C20    65     1.53872   110.30954   -53.82931
   76    75 S   HC   _H43    66     1.08570   109.30639   180.00000
   77    75 S   HC   _H44    67     1.08526   109.36607    60.05449
   78    75 S   HC   _H45    68     1.08481   109.35804   -60.03986
   79    55 S   CA   _C9_    51     1.40539   122.42724   165.12767
   80    79 S   OS   _O26    52     1.41535   118.49238     0.51586
   81    80 S   CO4  _C12    53     1.39054   122.71396  -179.72517
   82    81 S   O    _O23    54     1.22605   122.08831   179.75611
   83    81 S   CM   _C11    55     1.47301   116.51530    -0.25023
   84    83 S   HC   _H34    56     1.08399   117.52396   179.67016
   85    70 S   CM   _C10    57     1.45341   121.62347   178.93614
   86    85 S   HC   _H33    58     1.08492   118.98413     0.88293
  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
  15   2   1   1  14   4   8   3   2   1   7   5   4  10   3   2
   1   1  18   8  15   6  13   9  11   5   4   8   4  11   3   2
   1   1   7   3   8   7   7   3   2   1   3   2   1   1   6   5
   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    51    39    40    41    42    43    44    45    47    48    49    50  
   35    36  
   36  
    0  
   38    46    51    52    53    69    39    40    41    42    43    44    45    47  
   46    51    39    43  
   40    41    42    43    44    45    47    46  
   41    42    43  
   42    43  
   43  
   44    45    47    48    49    50    46  
   45    47    48    49    50  
   47    48    49    50  
   51    52    53    54    55    62    69    71    75    56  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    57    79    62    69    71    72    73    74    75    76    77    78    56    58  
   53    54    55    62    69    71    75    56  
   54    55    57    60    70    79    80    62    69    71    75    56    58    59    63  
   55    57    79    69    56    58  
   57    60    61    67    70    79    80    81    85    62    69    56    58  
   58    59    63    64    65    66    57    69    79  
   60    61    67    68    70    79    80    62    69    71    75  
   59    63    64    65    66  
   63    64    65    66  
   61    67    68    70    79    85    62    69  
   67    68    70    62  
   69    71    72    73    74    75    76    77    78    67    79  
   64    65    66  
   65    66  
   66  
    0  
   68    70    79    80    83    85    86  
   70    79    85  
   71    72    73    74    75    76    77    78  
   79    80    81    83    84    85    86  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    85    86  
   81    82    83    84    85  
   82    83    84    85    86  
   83    84    85  
   84    85    86  
   85    86  
   86  
    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   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   570.000  1.229
   37    46   214.000  1.327
   46    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    69   268.000  1.529
   53    54   340.000  1.090
   53    55   317.000  1.510
   53    56   320.000  1.410
   55    57   469.000  1.400
   55    79   469.000  1.400
   57    60   469.000  1.400
   57    62   450.000  1.364
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    68   367.000  1.080
   67    70   469.000  1.400
   70    79   469.000  1.400
   70    85   320.000  1.460
   79    80   450.000  1.364
   80    81   214.000  1.327
   81    82   570.000  1.229
   81    83   320.000  1.462
   83    84   340.000  1.080
   83    85   549.000  1.340
   85    86   340.000  1.080
   62    69   320.000  1.410
   69    71   268.000  1.529
   69    75   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   570.000  1.307
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    46    81.00000  111.40000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    50.00000  109.50000
   33    43    45    37.50000  110.70000
   33    43    47    58.35000  112.70000
   37    46    51    83.00000  116.90000
   46    37    38    83.00000  123.40000
   46    51    52    35.00000  109.50000
   46    51    53    50.00000  109.50000
   46    51    69    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    70.00000  112.17500
   51    53    56    50.00000  109.50000
   51    69    62    50.00000  109.50000
   51    69    71    58.35000  112.70000
   51    69    75    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    55    57    70.00000  120.00000
   53    55    79    70.00000  120.00000
   53    56    58    83.00000  116.90000
   55    53    54    35.00000  109.50000
   55    57    60    63.00000  120.00000
   55    57    62    70.00000  120.00000
   55    79    70    63.00000  120.00000
   55    79    80    70.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    67    63.00000  120.00000
   57    62    69    75.00000  111.00000
   60    67    68    35.00000  120.00000
   60    67    70    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    70    79    63.00000  120.00000
   67    70    85    60.00000  120.93500
   70    67    68    35.00000  120.00000
   70    79    80    70.00000  120.00000
   70    85    83    60.00000  123.20500
   70    85    86    40.00000  117.26300
   79    55    57    63.00000  120.00000
   79    80    81    85.00000  115.98000
   80    81    82    83.00000  123.40000
   80    81    83    90.00000  111.29400
   81    83    84    40.00000  117.72500
   81    83    85    65.00000  118.96000
   83    81    82    80.00000  123.72100
   83    85    86    35.00000  120.00000
   85    70    79    60.00000  120.93500
   85    83    84    35.00000  120.00000
   62    57    60    70.00000  120.00000
   62    69    71    50.00000  109.50000
   62    69    75    50.00000  109.50000
   69    51    52    37.50000  110.70000
   69    51    53    58.35000  112.70000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    74    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    69    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    85.00000  111.85700
   56    58    59    83.00000  123.40000
   56    58    63    81.00000  111.40000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   63    58    59    80.00000  120.40000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   39    33    37    63.00000  111.10000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    63.00000  111.10000
   43    33    39    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   45    43    44    45.00000  125.66300
   47    43    44    50.00000  109.50000
   47    43    45    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    46   0.40000  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
   29    33    43    44   0.56750  1.0 1.0
   29    33    43    44  -0.07550 -1.0 2.0
   29    33    43    44   0.20000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    47   0.44750  1.0 1.0
   29    33    43    47  -0.17800 -1.0 2.0
   29    33    43    47   0.20200  1.0 3.0
   33    37    46    51   1.63150  1.0 1.0
   33    37    46    51   2.92000 -1.0 2.0
   33    43    47    48   0.15000  1.0 3.0
   33    43    47    49   0.15000  1.0 3.0
   33    43    47    50   0.15000  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    33    43    44  -0.09450  1.0 1.0
   37    33    43    44  -1.12950 -1.0 2.0
   37    33    43    44   0.54000  1.0 3.0
   37    33    43    45  -0.11250  1.0 3.0
   37    33    43    47  -0.95700  1.0 1.0
   37    33    43    47  -0.18200 -1.0 2.0
   37    33    43    47   0.29450  1.0 3.0
   37    46    51    52   0.08050  1.0 3.0
   37    46    51    53  -0.25900  1.0 1.0
   37    46    51    53  -0.47000 -1.0 2.0
   37    46    51    53   0.11750  1.0 3.0
   37    46    51    69  -0.25900  1.0 1.0
   37    46    51    69  -0.47000 -1.0 2.0
   37    46    51    69   0.11750  1.0 3.0
   38    37    46    51   3.00000 -1.0 2.0
   46    51    53    54   0.23400  1.0 3.0
   46    51    53    55  -0.64350  1.0 1.0
   46    51    53    55  -0.04200 -1.0 2.0
   46    51    53    55   0.19800  1.0 3.0
   46    51    53    56   1.11900  1.0 1.0
   46    51    53    56  -1.16350 -1.0 2.0
   46    51    53    56  -0.34150  1.0 3.0
   46    51    69    62   1.11900  1.0 1.0
   46    51    69    62  -1.16350 -1.0 2.0
   46    51    69    62  -0.34150  1.0 3.0
   46    51    69    71   0.62750  1.0 1.0
   46    51    69    71  -0.30950 -1.0 2.0
   46    51    69    71   0.27300  1.0 3.0
   46    51    69    75   0.62750  1.0 1.0
   46    51    69    75  -0.30950 -1.0 2.0
   46    51    69    75   0.27300  1.0 3.0
   51    53    55    57   0.04150 -1.0 2.0
   51    53    55    79   0.04150 -1.0 2.0
   51    53    56    58  -0.25900  1.0 1.0
   51    53    56    58  -0.47000 -1.0 2.0
   51    53    56    58   0.11750  1.0 3.0
   51    69    71    72   0.15000  1.0 3.0
   51    69    71    73   0.15000  1.0 3.0
   51    69    71    74   0.15000  1.0 3.0
   51    69    75    76   0.15000  1.0 3.0
   51    69    75    77   0.15000  1.0 3.0
   51    69    75    78   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.43200  1.0 3.0
   52    51    53    56   0.23400  1.0 3.0
   52    51    69    62   0.23400  1.0 3.0
   52    51    69    71   0.15000  1.0 3.0
   52    51    69    75   0.15000  1.0 3.0
   53    51    69    62   0.62750  1.0 1.0
   53    51    69    62  -0.30950 -1.0 2.0
   53    51    69    62   0.27300  1.0 3.0
   53    51    69    71   0.56750  1.0 1.0
   53    51    69    71  -0.07550 -1.0 2.0
   53    51    69    71   0.20000  1.0 3.0
   53    51    69    75   0.56750  1.0 1.0
   53    51    69    75  -0.07550 -1.0 2.0
   53    51    69    75   0.20000  1.0 3.0
   53    55    57    60   3.62500 -1.0 2.0
   53    55   -57    62   3.62500 -1.0 2.0
   53    55    79    70   3.62500 -1.0 2.0
   53    55    79    80   3.62500 -1.0 2.0
   53    56    58    59   3.00000 -1.0 2.0
   53    56    58    63   1.63150  1.0 1.0
   53    56    58    63   2.92000 -1.0 2.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    79   0.00000  1.0 1.0
   54    53    56    58   0.08050  1.0 3.0
   55    53    56    58  -0.43900 -1.0 2.0
   55    53    56    58   0.14100  1.0 3.0
   55    57    60    61   3.62500 -1.0 2.0
   55    57    60    67   3.62500 -1.0 2.0
   55    57    62    69   1.63200 -1.0 2.0
   55    79    80    81   0.01300  1.0 1.0
   55    79    80    81   0.97950 -1.0 2.0
   55    79    80    81  -0.55700  1.0 3.0
   57    55    79    70   3.62500 -1.0 2.0
   57    55    79    80   3.62500 -1.0 2.0
   57    60    67    68   3.62500 -1.0 2.0
   57    60   -67    70   3.62500 -1.0 2.0
   57    62   -69    51  -0.32850  1.0 1.0
   57    62   -69    51  -0.35800 -1.0 2.0
   57    62   -69    51   0.33950  1.0 3.0
   57    62    69    71  -0.32850  1.0 1.0
   57    62    69    71  -0.35800 -1.0 2.0
   57    62    69    71   0.33950  1.0 3.0
   57    62    69    75  -0.32850  1.0 1.0
   57    62    69    75  -0.35800 -1.0 2.0
   57    62    69    75   0.33950  1.0 3.0
   60    57    62    69   1.63200 -1.0 2.0
   60    67    70    79   3.62500 -1.0 2.0
   60    67    70    85   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    60    67    70   3.62500 -1.0 2.0
   67    70   -79    55   3.62500 -1.0 2.0
   67    70    79    80   3.62500 -1.0 2.0
   67    70    85    83   0.15800  1.0 1.0
   67    70    85    83   1.85350 -1.0 2.0
   67    70    85    83  -0.48700  1.0 3.0
   67    70    85    86   0.56550  1.0 3.0
   68    67    70    79   3.62500 -1.0 2.0
   68    67    70    85   3.62500 -1.0 2.0
   70    79    80    81   0.01300  1.0 1.0
   70    79    80    81   0.97950 -1.0 2.0
   70    79    80    81  -0.55700  1.0 3.0
   79    55   -57    60   3.62500 -1.0 2.0
   79    55    57    62   3.62500 -1.0 2.0
   79    70    85    83   0.15800  1.0 1.0
   79    70    85    83   1.85350 -1.0 2.0
   79    70    85    83  -0.48700  1.0 3.0
   79    70    85    86   0.56550  1.0 3.0
   79    80    81    82   3.00000 -1.0 2.0
   79    80   -81    83   2.00000 -1.0 2.0
   80    81    83    84   1.63100 -1.0 2.0
   80    81    83    85  -0.56150  1.0 1.0
   80    81    83    85   2.19150 -1.0 2.0
   81    83   -85    70   7.00000 -1.0 2.0
   81    83    85    86   7.00000 -1.0 2.0
   82    81    83    84   0.00000  1.0 1.0
   82    81    83    85   1.00000 -1.0 2.0
   84    83    85    70   7.00000 -1.0 2.0
   84    83    85    86   7.00000 -1.0 2.0
   85    70    79    55   3.62500 -1.0 2.0
   85    70   -79    80   3.62500 -1.0 2.0
   62    57    60    61   3.62500 -1.0 2.0
   62    57    60    67   3.62500 -1.0 2.0
   62    69    71    72   0.23400  1.0 3.0
   62    69    71    73   0.23400  1.0 3.0
   62    69    71    74   0.23400  1.0 3.0
   62    69    75    76   0.23400  1.0 3.0
   62    69    75    77   0.23400  1.0 3.0
   62    69    75    78   0.23400  1.0 3.0
   69    51    53    54   0.15000  1.0 3.0
   69    51   -53    55  -0.03700  1.0 1.0
   69    51   -53    55   0.37200 -1.0 2.0
   69    51   -53    55  -0.47300  1.0 3.0
   69    51    53    56   0.62750  1.0 1.0
   69    51    53    56  -0.30950 -1.0 2.0
   69    51    53    56   0.27300  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    78   0.15000  1.0 3.0
   75    69    71    72   0.15000  1.0 3.0
   75    69    71    73   0.15000  1.0 3.0
   75    69    71    74   0.15000  1.0 3.0
   56    53    55    57   0.64500  1.0 1.0
   56    53    55    57   0.14800 -1.0 2.0
   56    53    55    57   0.20650  1.0 3.0
   56    53    55    79   0.64500  1.0 1.0
   56    53    55    79   0.14800 -1.0 2.0
   56    53    55    79   0.20650  1.0 3.0
   56    58    63    64   0.00000  1.0 1.0
   56    58    63    65   0.00000  1.0 1.0
   56    58    63    66   0.00000  1.0 1.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    65   0.00000  1.0 1.0
   59    58    63    66   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    46   0.36750  1.0 3.0
   39    33    43    44   0.62750  1.0 1.0
   39    33    43    44  -0.30950 -1.0 2.0
   39    33    43    44   0.27300  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    47   0.56750  1.0 1.0
   39    33    43    47  -0.07550 -1.0 2.0
   39    33    43    47   0.20000  1.0 3.0
   43    33    37    38   0.30150 -1.0 2.0
   43    33    37    46   0.36750  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    47    48   0.23400  1.0 3.0
   44    43    47    49   0.23400  1.0 3.0
   44    43    47    50   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    50   0.15000  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    46    37    38  10.50000 -1.0 2.0
   57    79    55    53   4.00000 -1.0 2.0
   60    62    57    55   4.00000 -1.0 2.0
   67    61    60    57   1.10000 -1.0 2.0
   70    68    67    60   1.10000 -1.0 2.0
   79    85    70    67   4.00000 -1.0 2.0
   70    80    79    55   4.00000 -1.0 2.0
   80    83    81    82  10.50000 -1.0 2.0
   81    84    83    85   1.10000 -1.0 2.0
   70    86    85    83   1.10000 -1.0 2.0
   56    63    58    59  10.50000 -1.0 2.0
END
