* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    156    237     434
    1     0 S   NP   _N1_     1    28.09126    96.06002   -17.34622
    2     1 S   H    _HN1     2     1.02727    71.92738  -105.29755
    3     1 S   H    _H1_     3     1.03531    81.60562     6.01096
    4     1 S   H    _H2_     4     1.02899    53.02990   124.20233
    5     1 S   CT   _CA1     5     1.50225   162.19556   147.58399
    6     5 S   HC   _HA1     6     1.09702   104.44096    45.31204
    7     5 S   CO3  _C1_     7     1.54518   111.22435   -70.10239
    8     7 S   O2Z  _O11     8     1.26052   116.80687  -122.05535
    9     7 S   O2Z  _O12     9     1.26591   113.80632    57.54054
   10     5 S   CT   _CB1    10     1.53192   107.26818   161.17398
   11    10 S   HC   HB11    11     1.09818   110.11325   -41.46664
   12    10 S   HC   HB12    12     1.09707   110.20576    75.27757
   13    10 S   CT   _CG1    13     1.53080   112.05458  -162.00647
   14    13 S   HC   HG11    14     1.09387   110.70458   -53.60309
   15    13 S   HC   HG12    15     1.09664   109.82199    64.86911
   16    13 S   C    _CD1    16     1.51843   112.61364  -175.09244
   17    16 S   O    _OE1    17     1.22729   123.20401   -13.76800
   18    16 S   N    _N2_    18     1.38542   111.65057   167.21367
   19    18 S   H    _HN2    19     1.01563   118.88184     3.97207
   20    18 S   CT1  _CA2    20     1.45972   123.48030   178.24833
   21    20 S   HC   _HA2    21     1.09717   109.17907    15.79048
   22    20 S   C    _C2_    22     1.52831   106.85173  -101.21907
   23    22 S   O    _O2_    23     1.22965   122.89597   -26.36312
   24    20 S   CT   _CB2    32     1.53389   111.72286   139.03136
   25    24 S   HC   HB21    33     1.09207   109.55621    54.72976
   26    24 S   HC   HB22    34     1.09523   110.63222   172.68126
   27    22 S   N    _N3_    24     1.38600   112.44743   156.33547
   28    27 S   H    _HN3    25     1.01511   119.71635     1.44062
   29    24 S   S    _SG2    35     1.82693   110.07014   -68.69051
   30    27 S   CT   _CA3    26     1.45438   122.71253   176.04443
   31    30 S   HC   HA31    27     1.09548   108.80087    32.92136
   32    30 S   HC   HA32    28     1.09478   107.21599   149.98399
   33    29 S   CT   _C7_    36     1.90559   103.31502   142.18723
   34    30 S   CO3  _C3_    29     1.53033   113.64147   -90.04666
   35    34 S   O2Z  _O31    30     1.26362   115.78239   -32.97839
   36    34 S   O2Z  _O32    31     1.26406   114.70961   147.89443
   37    33 S   CM   _C8_    37     1.55107   104.06719   176.17756
   38    33 S   CT   _C6_    74     1.55586   107.76846    56.04603
   39    38 S   HC   _H8_    75     1.09605   110.89888    55.35913
   40    38 S   HC   _H9_    76     1.09503   110.56851   -62.90504
   41    37 S   N4   _N8_    38     1.36449   118.36348    86.06798
   42    37 S   CMA  _C9_    71     1.53214   121.06867   -83.05254
   43    42 S   OM   _O33    72     1.26380   119.82774  -111.57947
   44    42 S   OM   _O34    73     1.26268   121.65968    68.93552
   45    38 S   S    _S1_    77     1.83220   114.26343   177.89587
   46    41 S   C4   _C10    39     1.35375   137.12682  -158.84222
   47    46 S   O    _O35    40     1.20885   134.09916    -1.58239
   48    41 S   C4T  _C12    42     1.44995   125.54304    34.14378
   49    48 S   HC   _H3_    43     1.09825   111.74409    74.68896
   50    45 S   CRA  _C5_    78     1.72350   100.46771  -168.12456
   51    46 S   C4T  _C11    41     1.59033    89.29914   173.81531
   52    48 S   S    _S2_    44     1.80623   112.06104   -53.12482
   53    50 S   N5B  _N7_    79     1.31364   127.65353   -39.50355
   54    33 S   CT   _C13    45     1.55856   108.87958   -63.49307
   55    54 S   HC   _H10    46     1.09304   112.18180    60.48740
   56    54 S   HC   _H11    47     1.09574   110.63802   178.24253
   57    51 S   N    _N9_    48     1.49310   111.26067   -98.70982
   58    57 S   H    _H15    49     1.01894   118.26867   110.95055
   59    51 S   OS   _O36    66     1.44969   112.12482   129.83059
   60    53 S   N5B  _N6_    80     1.37618   105.64632  -179.39477
   61    57 S   C    _C15    50     1.39073   123.70654   -68.52990
   62    61 S   O    _O37    51     1.23483   122.30035    -5.55933
   63    59 S   CT   _C14    67     1.42069   116.21097  -168.75472
   64    63 S   HC   _H12    68     1.09302   108.42396   176.61603
   65    63 S   HC   _H13    69     1.09344   110.47364    57.52132
   66    63 S   HC   _H14    70     1.09351   110.38070   -64.41610
   67    60 S   N5A  _N5_    81     1.32766   111.14805    -0.02798
   68    61 S   C4T  _C16    52     1.55984   112.31017   174.20032
   69    68 S   HC   _H4_    53     1.09767   113.12367   -11.89136
   70    50 S   NA   _N4_    82     1.36342   123.62233   141.00390
   71    68 S   S    _S3_    54     1.82878   112.20004   118.81873
   72    68 S   S    _S4_    56     1.83389   112.41341  -140.69487
   73    70 S   CT   _C4_    83     1.43731   130.03928    -1.72635
   74    73 S   HC   _H5_    84     1.09266   108.74030    59.25386
   75    73 S   HC   _H6_    85     1.09331   109.55711   178.89997
   76    73 S   HC   _H7_    86     1.09252   108.66155   -61.39818
   77    71 S   C4M  _C17    55     1.75034    74.45251   149.43899
   78    77 S   CM   _C18    57     1.34689   129.74826   146.53900
   79    78 S   C    _C20    58     1.49366   119.29693   177.75999
   80    79 S   O    _O40    59     1.22661   123.96205    22.57485
   81    78 S   CO3  _C19    63     1.52608   119.99931    -3.17478
   82    81 S   O2Z  _O39    64     1.26407   115.33682   112.02169
   83    81 S   O2Z  _O38    65     1.26551   115.16899   -69.26791
   84    79 S   N    _N10    60     1.37400   114.01278  -158.19349
   85    84 S   H    _H16    61     1.01599   122.90116     2.93905
   86    84 S   H    _H17    62     1.01358   120.23945  -179.51302
  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  17  12   4   3  12   5   1   1   7  10   4  11
   5   8  12   5   4   2   1   1   9   4   5   3   6   4   3   2
   1   1   5   5   3   4   5   4   3   2   1   1   7   8   7   4
   3   1   1   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    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    52    54    55    56    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    52    54    55    56    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    51    48    49    52    54    55    56    42    43    44    38    39    40    45  
   39    40    45    50    53    70    41    42    52    54    55    56  
   40    45    50    54  
   45    50    54  
   46    47    51    48    49    52    54    57    59    42    43    44  
   43    44    46    48    54  
   44  
    0  
   50    53    60    67    70    73    54  
   47    51    48    49    52    57    58    61    59    63  
   51    48    57    59  
   49    52    54    55    56    57    58    61    59    63    51  
   52    54    57    59    51  
   53    60    67    70    73    74    75    76  
   52    54    57    58    61    62    68    59    63    64    65    66  
   54    55    56    57    59  
   60    67    70    73  
   55    56  
   56  
    0  
   58    61    62    68    69    71    72    59    63  
   61    62    68    59  
   63    64    65    66    61  
   67    70    73  
   62    68    69    71    77    72  
   68    69    71    72  
   64    65    66  
   65    66  
   66  
    0  
   70    73    74    75    76  
   69    71    77    72    78  
   71    77    72  
   73    74    75    76  
   77    72    78    79    81  
   78    79    81    77  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    84    81    82    83  
   79    80    84    85    86    81    82    83  
   80    84    85    86    81    82    83  
   84    85    86    81  
   82    83    84  
   83  
    0  
   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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   52   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   53   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   54   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   68   3.5000   0.0660   0.253000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   71   3.6000   0.3550  -0.164000   2.0300   1.8000   0.025682759  -1.666211680
   72   3.6000   0.3550  -0.164000   2.0300   1.8000   0.025682759  -1.666211680
   73   3.5000   0.0660  -0.057500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.015000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.367000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   81   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   85   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   86   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    54   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    51   250.000  1.540
   51    48   268.000  1.529
   51    57   337.000  1.449
   51    59   320.000  1.410
   48    49   340.000  1.090
   48    52   200.000  1.824
   52    54   222.000  1.810
   54    55   340.000  1.090
   54    56   340.000  1.090
   57    58   434.000  1.010
   57    61   490.000  1.335
   61    62   570.000  1.229
   61    68   317.000  1.522
   68    69   340.000  1.090
   68    71   200.000  1.824
   68    72   200.000  1.824
   71    77   240.000  1.763
   77    72   240.000  1.763
   77    78   545.000  1.340
   78    79   410.000  1.444
   78    81   230.000  1.545
   79    80   570.000  1.229
   79    84   490.000  1.335
   84    85   434.000  1.010
   84    86   434.000  1.010
   81    82   656.000  1.250
   81    83   656.000  1.250
   59    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   222.000  1.810
   45    50   245.000  1.755
   50    53   488.000  1.335
   50    70   477.000  1.343
   53    60   290.000  1.379
   60    67   420.000  1.291
   67    70   400.000  1.349
   70    73   320.000  1.443
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    54    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    54    52    75.00000  111.63000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  111.63000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    51    95.00000   92.72400
   41    48    51   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    52    80.00000  108.62000
   46    51    48   100.00000   86.36000
   46    51    57    75.00000  110.24000
   46    51    59    90.00000  108.55600
   51    46    47    60.00000  136.58000
   51    48    49    37.50000  110.70000
   51    48    52    65.00000  119.05700
   51    57    58    38.00000  118.40000
   51    57    61    50.00000  121.90000
   51    59    63    60.00000  109.50000
   48    41    46   100.00000   93.00000
   48    52    54    85.00000   99.86700
   52    48    49    45.00000  109.41400
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   54    33    37    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    51    48    80.00000  110.05700
   57    61    62    80.00000  122.90000
   57    61    68    70.00000  116.60000
   61    57    58    35.00000  119.80000
   61    68    69    35.00000  109.50000
   61    68    71    70.00000  112.33000
   61    68    72    70.00000  112.33000
   68    61    62    80.00000  120.40000
   68    71    77    60.00000   90.00000
   68    72    77    60.00000   90.00000
   71    68    69    45.00000  109.41400
   71    77    72    95.00000   96.00000
   71    77    78    65.00000  122.11800
   77    78    79    70.00000  118.70000
   77    78    81    55.00000  124.75400
   72    68    69    45.00000  109.41400
   72    68    71    65.00000   91.00000
   78    77    72    65.00000  122.11800
   78    79    80    80.00000  125.30000
   78    79    84    80.00000  111.56200
   78    81    82    85.00000  113.83300
   78    81    83    85.00000  113.83300
   79    84    85    35.00000  119.80000
   79    84    86    35.00000  119.80000
   84    79    80    80.00000  122.90000
   86    84    85    35.00000  120.00000
   81    78    79    80.00000  109.98000
   83    81    82    80.00000  126.00000
   59    51    48    50.00000  109.50000
   59    51    57    95.00000  111.00000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    54    58.35000  112.70000
   38    45    50    85.00000   97.05500
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    53    70.00000  126.12900
   45    50    70    70.00000  123.45500
   50    53    60   100.00000  108.10500
   50    70    67    95.00000  110.06400
   50    70    73    60.00000  127.66100
   53    60    67   100.00000  111.97400
   60    67    70   110.00000  106.81600
   67    70    73    75.00000  118.68000
   70    50    53    70.00000  120.00000
   70    73    74    50.00000  108.61900
   70    73    75    50.00000  108.61900
   70    73    76    50.00000  108.61900
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    54    52   0.56750  1.0 1.0
   29    33    54    52  -0.07550 -1.0 2.0
   29    33    54    52   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.35400  1.0 1.0
   33    38    45    50  -0.24450 -1.0 2.0
   33    38    45    50   0.44000  1.0 3.0
   37    33    54    52   0.56750  1.0 1.0
   37    33    54    52  -0.07550 -1.0 2.0
   37    33    54    52   0.20000  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    51   3.00000 -1.0 2.0
   37    41   -48    51   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    52   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46   -51    48   3.00000 -1.0 2.0
   41    46    51    57   0.00000  1.0 1.0
   41    46    51    59   0.00000  1.0 1.0
   41    48    52    54   0.01700  1.0 1.0
   41    48    52    54  -0.23550 -1.0 2.0
   41    48    52    54   0.21350  1.0 3.0
   46    41   -48    51   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    52   0.00000  1.0 1.0
   46    51   -48    41   3.00000 -1.0 2.0
   46    51   -48    49   0.15000  1.0 3.0
   46    51   -48    52   0.00000  1.0 1.0
   46    51    57    58   0.00000  1.0 1.0
   46    51    57    61  -0.42300  1.0 1.0
   46    51    57    61  -0.07000 -1.0 2.0
   46    51    57    61   0.04150  1.0 3.0
   46    51    59    63  -1.11000  1.0 1.0
   46    51    59    63   0.50250 -1.0 2.0
   46    51    59    63   0.47450  1.0 3.0
   47    46    51    48  -0.11250  1.0 1.0
   47    46    51    48   0.11400 -1.0 2.0
   47    46    51    48  -0.28950  1.0 3.0
   47    46    51    57   0.30150 -1.0 2.0
   47    46    51    59   0.30150 -1.0 2.0
   51    48    52    54   0.25150  1.0 1.0
   51    48    52    54  -1.17200 -1.0 2.0
   51    48    52    54   0.53050  1.0 3.0
   51    57    61    62   3.04450 -1.0 2.0
   51    57    61    68   1.49850  1.0 1.0
   51    57    61    68   1.53950 -1.0 2.0
   51    59    63    64   0.37050  1.0 3.0
   51    59    63    65   0.37050  1.0 3.0
   51    59    63    66   0.37050  1.0 3.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    51   3.00000 -1.0 2.0
   48    51    57    58   0.00000  1.0 1.0
   48    51    57    61  -0.43950  1.0 1.0
   48    51    57    61  -0.08100 -1.0 2.0
   48    51    57    61   0.03350  1.0 3.0
   48    51    59    63   0.06250  1.0 1.0
   48    51    59    63  -0.01100 -1.0 2.0
   48    51    59    63   0.28050  1.0 3.0
   48    52   -54    33  -0.25000 -1.0 2.0
   48    52   -54    33  -0.01800  1.0 3.0
   48    52    54    55   0.32350  1.0 3.0
   48    52    54    56   0.32350  1.0 3.0
   49    48    52    54   0.00000  1.0 1.0
   54    33   -37    41  -0.93550  1.0 1.0
   54    33   -37    41   0.38900 -1.0 2.0
   54    33   -37    41   0.16950  1.0 3.0
   54    33    37    42   0.09850  1.0 1.0
   54    33    37    42   0.15250 -1.0 2.0
   54    33    37    42  -0.50650  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33    38    45   0.44750  1.0 1.0
   54    33    38    45  -0.17800 -1.0 2.0
   54    33    38    45   0.20200  1.0 3.0
   57    51   -48    41   2.20050  1.0 1.0
   57    51   -48    41   0.63450 -1.0 2.0
   57    51   -48    41  -0.91300  1.0 3.0
   57    51    48    49   0.15000  1.0 3.0
   57    51    48    52   0.00000  1.0 1.0
   57    51    59    63  -2.37750  1.0 1.0
   57    51    59    63  -0.08150 -1.0 2.0
   57    51    59    63   0.59000  1.0 3.0
   57    61    68    69   0.00000  1.0 1.0
   57    61    68    71   0.00000  1.0 1.0
   57    61    68    72   0.00000  1.0 1.0
   58    57    61    62   2.45000 -1.0 2.0
   58    57    61    68   2.45000 -1.0 2.0
   61    68    71    77   0.00000  1.0 1.0
   61    68   -72    77   0.00000  1.0 1.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    71   0.30150 -1.0 2.0
   62    61    68    72   0.30150 -1.0 2.0
   68    71   -77    72   0.00000  1.0 1.0
   68    71    77    78   1.00000 -1.0 2.0
   69    68    71    77   0.24000  1.0 3.0
   69    68   -72    77   0.24000  1.0 3.0
   71    68   -72    77   0.00000  1.0 1.0
   71    77   -72    68   0.00000  1.0 1.0
   71    77    78    79   7.00000 -1.0 2.0
   71    77    78    81   7.00000 -1.0 2.0
   77    78    79    80   1.00000 -1.0 2.0
   77    78    79    84   0.49500  1.0 1.0
   77    78    79    84   1.31600 -1.0 2.0
   77    78    79    84  -0.02300  1.0 3.0
   77    78    81    82  -0.04000 -1.0 2.0
   77    78    81    82  -0.29050  1.0 3.0
   77    78    81    83  -0.04000 -1.0 2.0
   77    78    81    83  -0.29050  1.0 3.0
   72    68   -71    77   0.00000  1.0 1.0
   72    77    78    79   7.00000 -1.0 2.0
   72    77    78    81   7.00000 -1.0 2.0
   78    77   -72    68   1.00000 -1.0 2.0
   78    79    84    85   2.56700 -1.0 2.0
   78    79    84    86   2.56700 -1.0 2.0
   79    78    81    82   2.50000 -1.0 2.0
   79    78    81    83   2.50000 -1.0 2.0
   80    79    84    85   2.45000 -1.0 2.0
   80    79    84    86   2.45000 -1.0 2.0
   81    78    79    80   2.50000 -1.0 2.0
   81    78    79    84   1.50000 -1.0 2.0
   59    51   -48    41   1.12100  1.0 1.0
   59    51   -48    41  -0.16500 -1.0 2.0
   59    51    48    49   0.15000  1.0 3.0
   59    51    48    52   0.00000  1.0 1.0
   59    51    57    58   0.00000  1.0 1.0
   59    51    57    61  -2.75650  1.0 1.0
   59    51    57    61  -1.18150 -1.0 2.0
   59    51    57    61   0.81900  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    54    52   0.44750  1.0 1.0
   38    33    54    52  -0.17800 -1.0 2.0
   38    33    54    52   0.20200  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    56   0.15000  1.0 3.0
   38    45    50    53   0.63150 -1.0 2.0
   38    45    50    70   0.63150 -1.0 2.0
   39    38    45    50   0.24000  1.0 3.0
   40    38    45    50   0.24000  1.0 3.0
   45    50    53    60   3.62500 -1.0 2.0
   45    50    70    67   3.62500 -1.0 2.0
   45    50    70    73   3.62500 -1.0 2.0
   50    53   -60    67   3.62500 -1.0 2.0
   50    70    73    74   0.00000  1.0 1.0
   50    70    73    75   0.00000  1.0 1.0
   50    70    73    76   0.00000  1.0 1.0
   53    50   -70    67   3.62500 -1.0 2.0
   53    50    70    73   3.62500 -1.0 2.0
   53    60   -67    70   3.62500 -1.0 2.0
   60    67   -70    50   3.62500 -1.0 2.0
   60    67    70    73   3.62500 -1.0 2.0
   67    70    73    74   0.00000  1.0 1.0
   67    70    73    75   0.00000  1.0 1.0
   67    70    73    76   0.00000  1.0 1.0
   70    50   -53    60   3.62500 -1.0 2.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
   58    61    57    51   1.00000 -1.0 2.0
   57    68    61    62  10.50000 -1.0 2.0
   71    72    77    78   1.10000 -1.0 2.0
   79    81    78    77   1.10000 -1.0 2.0
   78    84    79    80  10.50000 -1.0 2.0
   86    79    84    85   1.00000 -1.0 2.0
   82    78    81    83  10.50000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   53    70    50    45   4.00000 -1.0 2.0
   67    73    70    50   4.00000 -1.0 2.0
END
