* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    160    258     477
    1     0 S   NP   _N1_     1    28.15829    95.45884   -20.54114
    2     1 S   H    _HN1     2     1.02778    88.23546  -120.70083
    3     1 S   H    _H1_     3     1.02950    83.86577   -12.10214
    4     1 S   H    _H2_     4     1.02839    37.71536   116.53587
    5     1 S   CT   _CA1     5     1.50115   148.21351   107.52129
    6     5 S   HC   _HA1     6     1.09584   105.23967    65.39660
    7     5 S   CO3  _C1_     7     1.53847   112.01956   -54.67133
    8     7 S   O2Z  _O11     8     1.26359   115.05433   -52.78600
    9     7 S   O2Z  _O12     9     1.26214   114.89551   126.01576
   10     5 S   CT   _CB1    10     1.53103   107.36967  -176.92929
   11    10 S   HC   HB11    11     1.09823   109.50525   -51.27943
   12    10 S   HC   HB12    12     1.09810   110.44751    65.33937
   13    10 S   CT   _CG1    13     1.52938   112.43871  -172.29276
   14    13 S   HC   HG11    14     1.09560   110.24502   -62.00589
   15    13 S   HC   HG12    15     1.09639   110.01069    57.17259
   16    13 S   C    _CD1    16     1.51809   112.38965   177.96568
   17    16 S   O    _OE1    17     1.22742   123.27845     1.15893
   18    16 S   N    _N2_    18     1.38508   111.64637  -179.53354
   19    18 S   H    _HN2    19     1.01593   118.90454     6.64694
   20    18 S   CT1  _CA2    20     1.45994   123.12704  -179.13634
   21    20 S   HC   _HA2    21     1.09714   109.01024    18.53802
   22    20 S   C    _C2_    22     1.52793   106.93615   -98.72349
   23    22 S   O    _O2_    23     1.22995   122.94490   -28.44317
   24    20 S   CT   _CB2    32     1.53269   111.90076   141.35426
   25    24 S   HC   HB21    33     1.09512   109.64383    57.24870
   26    24 S   HC   HB22    34     1.09447   110.45654   175.90399
   27    22 S   N    _N3_    24     1.38479   112.68230   154.20128
   28    27 S   H    _HN3    25     1.01661   120.38643    -1.40820
   29    24 S   S    _SG2    35     1.82800   110.45100   -63.84768
   30    27 S   CT   _CA3    26     1.45359   122.37227   178.74680
   31    30 S   HC   HA31    27     1.09569   107.57673   -60.72223
   32    30 S   HC   HA32    28     1.09570   107.80801    55.56220
   33    29 S   CT   _C15    36     1.88504   100.29017   158.80174
   34    33 S   HC   _H3_    37     1.09822   106.80100   -18.66067
   35    30 S   CO3  _C3_    29     1.52871   114.45304   177.49087
   36    35 S   O2Z  _O31    30     1.26318   116.11305    -1.15301
   37    35 S   O2Z  _O32    31     1.26456   114.38627   178.89677
   38    33 S   CT   _C12    38     1.57628   113.11477   100.28336
   39    38 S   OM   _O20    39     1.32697   109.35145   -56.49443
   40    38 S   HC   _H31    40     1.09564   107.23421   178.31553
   41    33 S   CT   _C16    70     1.58704   110.75448  -136.14528
   42    38 S   CT   _C14    41     1.55321   110.70605    63.92641
   43    42 S   HC   _H33    42     1.10001   108.52308   -73.55418
   44    50 S   CT   _C11    71     1.53713   114.39995   -37.39868
   45    44 S   HC   _H30    72     1.09849   109.68540   -82.13053
   46    41 S   CT   _C18    73     1.56449   106.93563   171.50486
   47    46 S   HC   _H35    74     1.09046   113.95723    70.51249
   48    46 S   HC   _H36    75     1.09785   110.20479   -49.61517
   49    46 S   HC   _H37    76     1.09320   113.82898  -168.06090
   50    42 S   CT   _C17    43     1.55139   116.15457    47.04549
   51    42 S   OH   _O25    81     1.43506   110.42396   172.13052
   52    51 S   HO   _H48    82     0.97259   107.39322   -54.93188
   53    50 S   CO4  _C9_    44     1.52182   117.90022    78.83586
   54    53 S   O    _O22    45     1.22082   126.80455    32.95321
   55    50 S   CT   _C19    77     1.55140   107.35581  -162.45227
   56    55 S   HC   _H38    78     1.09568   110.84514    67.07211
   57    55 S   HC   _H39    79     1.09642   110.99468   -52.78321
   58    55 S   HC   _H40    80     1.09483   113.18137  -171.75714
   59    53 S   OS   _O24    46     1.38071   109.35719  -148.50982
   60    59 S   CT   _C13    47     1.43922   109.77387     0.85980
   61    60 S   HC   _H32    48     1.09712   106.97958   -93.59628
   62    60 S   CT   _C10    49     1.52959   112.07398   148.55940
   63    62 S   HC   _H28    50     1.09582   105.89104   105.66618
   64    62 S   HC   _H29    51     1.09693   110.43827    -7.45040
   65    62 S   CM   _C6_    52     1.51810   115.64684  -131.89342
   66    65 S   CM   _C5_    53     1.46969   117.76512    36.88441
   67    66 S   CM   _C4_    54     1.34197   119.06266   172.07283
   68    67 S   HC   _H27    55     1.08185   122.64331  -175.98624
   69    67 S   CO4  _C8_    56     1.46840   122.14017     5.55817
   70    69 S   O    _O21    57     1.22631   120.63537   178.59013
   71    69 S   OS   _O23    58     1.35901   116.62241    -0.15323
   72    65 S   CM   _C7_    59     1.35083   123.53898  -145.48022
   73    72 S   CT   _C22    60     1.51883   126.30543     0.41401
   74    73 S   HC   _H47    61     1.09441   110.48781   -13.61132
   75    73 S   CT   _C20    62     1.52896   110.34141   105.44076
   76    75 S   HC   _H41    63     1.09508   111.60299    62.81626
   77    75 S   HC   _H42    64     1.09565   111.01877   -57.68403
   78    75 S   HC   _H43    65     1.09537   110.64983  -177.20705
   79    73 S   CT   _C21    66     1.53284   111.82384  -131.11733
   80    79 S   HC   _H44    67     1.09566   111.95009   -65.44484
   81    79 S   HC   _H45    68     1.09560   110.44705   174.79911
   82    79 S   HC   _H46    69     1.09558   110.93560    55.42232
  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  10   5   4   3
  19   8   2   1   1  13   6   5  20  14   6  22   9   8   3   2
   1  13   3   1   9   3   5   2   1   1   6   7   4   8   4   3
  10   7   5   3   4   2   5  10   9   8   7   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    66    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    50    60    65    66    67    41    44    45    46    47    48    49    51  
   38    39    40    42    66    41    44    46  
   36    37  
   37  
    0  
   39    40    42    43    50    53    66    41    44    46    55    51    52  
   40    42    43    50    41    51  
   42    43    50    41    51  
   44    45    46    47    48    49    55    42    50    53    59    60    61    62    65    66    67    68    69    72  
   43    50    53    54    59    60    44    45    55    56    57    58    51    52  
   50    53    44    55    51    52  
   45    46    47    48    49    55    56    57    58    51    50    53    54    59    60    61    62    63    64    65    66    67  
   46    55    50    53    59    60    61    62    66  
   47    48    49    50    60    65    66    67  
   48    49    66  
   49    66  
   66  
   53    54    59    60    61    62    66    55    56    57    58    51    52  
   52    53    55  
    0  
   54    59    60    61    62    55    56    57    58  
   59    60    55  
   56    57    58    59    60  
   57    58  
   58  
    0  
   60    61    62    63    64    65  
   61    62    63    64    65    66    72  
   62    63    64    65  
   63    64    65    66    67    71    72    73  
   64    65    66    72  
   65    66    72  
   66    67    68    69    71    72    73    74    75    79  
   67    68    69    70    71    72    73  
   68    69    70    71    72  
   69    70    71  
   70    71    72    73  
   71    72  
   72    73    74    75    79  
   73    74    75    76    77    78    79    80    81    82  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    50   268.000  1.529
   42    51   320.000  1.410
   50    53   317.000  1.522
   50    44   268.000  1.529
   50    55   268.000  1.529
   53    54   570.000  1.229
   53    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    44   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.510
   65    66   380.000  1.444
   65    72   549.000  1.340
   66    67   549.000  1.340
   66    41   317.000  1.510
   67    68   340.000  1.080
   67    69   320.000  1.462
   69    70   570.000  1.229
   69    71   214.000  1.327
   71    72   440.000  1.360
   72    73   317.000  1.510
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   41    44   268.000  1.529
   41    46   268.000  1.529
   44    45   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   51    52   553.000  0.945
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    66    70.00000  112.02700
   33    41    44    58.35000  112.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    50    58.35000  112.70000
   38    42    51    50.00000  109.50000
   40    38    39    45.00000  125.66300
   42    38    39    50.00000  109.50000
   42    38    40    37.50000  110.70000
   42    50    53    63.00000  111.10000
   42    50    44    58.35000  112.70000
   42    50    55    58.35000  112.70000
   42    51    52    55.00000  108.50000
   50    42    43    37.50000  110.70000
   50    53    54    80.00000  120.40000
   50    53    59    81.00000  111.40000
   50    44    60    58.35000  112.70000
   50    44    41    58.35000  112.70000
   50    44    45    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   53    59    60    83.00000  116.90000
   59    53    54    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   59    60    44    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    64    37.50000  110.70000
   60    62    65    70.00000  112.02700
   60    44    41    58.35000  112.70000
   60    44    45    37.50000  110.70000
   62    60    61    37.50000  110.70000
   62    65    66    70.00000  124.00000
   62    65    72    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    66    67    70.00000  123.01800
   65    66    41    70.00000  124.00000
   65    72    71    80.00000  120.01400
   65    72    73    70.00000  124.00000
   66    67    68    35.00000  120.00000
   66    67    69    65.00000  118.96000
   66    41    44    70.00000  112.02700
   66    41    46    70.00000  112.02700
   67    69    70    80.00000  123.72100
   67    69    71    90.00000  111.29400
   69    67    68    40.00000  117.72500
   69    71    72    90.00000  114.22900
   71    69    70    83.00000  123.40000
   71    72    73    85.00000  112.85300
   72    65    66    70.00000  123.01800
   72    73    74    35.00000  109.50000
   72    73    75    70.00000  112.02700
   72    73    79    70.00000  112.02700
   73    75    76    37.50000  110.70000
   73    75    77    37.50000  110.70000
   73    75    78    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    82    37.50000  110.70000
   75    73    74    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    66    67    70.00000  124.00000
   41    44    45    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   44    50    53    63.00000  111.10000
   44    60    61    37.50000  110.70000
   44    60    62    58.35000  112.70000
   46    41    44    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   55    50    53    63.00000  111.10000
   55    50    44    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   51    42    43    35.00000  109.50000
   51    42    50    50.00000  109.50000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    66   0.56750  1.0 1.0
   29    33    41    66  -0.07550 -1.0 2.0
   29    33    41    66   0.20000  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    50   0.56750  1.0 1.0
   33    38    42    50  -0.07550 -1.0 2.0
   33    38    42    50   0.20000  1.0 3.0
   33    38    42    51   0.86500  1.0 1.0
   33    38    42    51  -0.17500 -1.0 2.0
   33    38    42    51   0.20800  1.0 3.0
   33    41   -44    50   0.56750  1.0 1.0
   33    41   -44    50  -0.07550 -1.0 2.0
   33    41   -44    50   0.20000  1.0 3.0
   33    41    44    60   0.56750  1.0 1.0
   33    41    44    60  -0.07550 -1.0 2.0
   33    41    44    60   0.20000  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    66   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    66   0.34400  1.0 1.0
   38    33    41    66   0.09450 -1.0 2.0
   38    33    41    66   0.11100  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    42    50    53  -0.95700  1.0 1.0
   38    42    50    53  -0.18200 -1.0 2.0
   38    42    50    53   0.29450  1.0 3.0
   38    42   -50    44   0.56750  1.0 1.0
   38    42   -50    44  -0.07550 -1.0 2.0
   38    42   -50    44   0.20000  1.0 3.0
   38    42    50    55   0.56750  1.0 1.0
   38    42    50    55  -0.07550 -1.0 2.0
   38    42    50    55   0.20000  1.0 3.0
   38    42    51    52  -0.11600  1.0 1.0
   38    42    51    52  -0.09450 -1.0 2.0
   38    42    51    52   0.21250  1.0 3.0
   39    38    42    43   0.23400  1.0 3.0
   39    38    42    50   0.62750  1.0 1.0
   39    38    42    50  -0.30950 -1.0 2.0
   39    38    42    50   0.27300  1.0 3.0
   39    38    42    51   3.69350  1.0 1.0
   39    38    42    51  -1.82950 -1.0 2.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    50   0.15000  1.0 3.0
   40    38    42    51   0.23400  1.0 3.0
   42    50    53    54   0.30150 -1.0 2.0
   42    50    53    59   0.36750  1.0 3.0
   42    50    44    60   0.56750  1.0 1.0
   42    50    44    60  -0.07550 -1.0 2.0
   42    50    44    60   0.20000  1.0 3.0
   42    50    44    41   0.56750  1.0 1.0
   42    50    44    41  -0.07550 -1.0 2.0
   42    50    44    41   0.20000  1.0 3.0
   42    50    44    45   0.15000  1.0 3.0
   42    50    55    56   0.15000  1.0 3.0
   42    50    55    57   0.15000  1.0 3.0
   42    50    55    58   0.15000  1.0 3.0
   43    42    50    53  -0.11250  1.0 3.0
   43    42    50    44   0.15000  1.0 3.0
   43    42    50    55   0.15000  1.0 3.0
   43    42    51    52   0.19450  1.0 3.0
   50    42    51    52  -0.11600  1.0 1.0
   50    42    51    52  -0.09450 -1.0 2.0
   50    42    51    52   0.21250  1.0 3.0
   50    53   -59    60   1.63150  1.0 1.0
   50    53   -59    60   2.92000 -1.0 2.0
   53    50   -44    60  -0.95700  1.0 1.0
   53    50   -44    60  -0.18200 -1.0 2.0
   53    50   -44    60   0.29450  1.0 3.0
   53    50    44    41  -0.95700  1.0 1.0
   53    50    44    41  -0.18200 -1.0 2.0
   53    50    44    41   0.29450  1.0 3.0
   53    50    44    45  -0.11250  1.0 3.0
   53    50    55    56  -0.11250  1.0 3.0
   53    50    55    57  -0.11250  1.0 3.0
   53    50    55    58  -0.11250  1.0 3.0
   53    59    60    61   0.08050  1.0 3.0
   53    59    60    62  -0.25900  1.0 1.0
   53    59    60    62  -0.47000 -1.0 2.0
   53    59    60    62   0.11750  1.0 3.0
   53    59   -60    44  -0.25900  1.0 1.0
   53    59   -60    44  -0.47000 -1.0 2.0
   53    59   -60    44   0.11750  1.0 3.0
   54    53    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    64   0.23400  1.0 3.0
   59    60    62    65   0.61850  1.0 1.0
   59    60    62    65  -0.22750 -1.0 2.0
   59    60    62    65   0.15300  1.0 3.0
   59    60   -44    50   0.62750  1.0 1.0
   59    60   -44    50  -0.30950 -1.0 2.0
   59    60   -44    50   0.27300  1.0 3.0
   59    60    44    41   0.62750  1.0 1.0
   59    60    44    41  -0.30950 -1.0 2.0
   59    60    44    41   0.27300  1.0 3.0
   59    60    44    45   0.23400  1.0 3.0
   60    62    65    66   0.98200  1.0 1.0
   60    62    65    66  -0.11900 -1.0 2.0
   60    62    65    66   0.24250  1.0 3.0
   60    62    65    72   0.09850  1.0 1.0
   60    62    65    72   0.15250 -1.0 2.0
   60    62    65    72  -0.50650  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    44    50   0.15000  1.0 3.0
   61    60    44    41   0.15000  1.0 3.0
   61    60    44    45   0.15000  1.0 3.0
   62    60    44    50   0.56750  1.0 1.0
   62    60    44    50  -0.07550 -1.0 2.0
   62    60    44    50   0.20000  1.0 3.0
   62    60    44    41   0.56750  1.0 1.0
   62    60    44    41  -0.07550 -1.0 2.0
   62    60    44    41   0.20000  1.0 3.0
   62    60    44    45   0.15000  1.0 3.0
   62    65    66    67  -0.18600  1.0 3.0
   62    65   -66    41   0.35650  1.0 1.0
   62    65   -66    41   0.31450 -1.0 2.0
   62    65    72    71   7.00000 -1.0 2.0
   62    65    72    73   7.00000 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    72   0.00000  1.0 1.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    72   0.00000  1.0 1.0
   65    66    67    68   7.00000 -1.0 2.0
   65    66    67    69   7.00000 -1.0 2.0
   65    66    41    33   0.98200  1.0 1.0
   65    66    41    33  -0.11900 -1.0 2.0
   65    66    41    33   0.24250  1.0 3.0
   65    66    41    44   0.98200  1.0 1.0
   65    66    41    44  -0.11900 -1.0 2.0
   65    66    41    44   0.24250  1.0 3.0
   65    66    41    46   0.98200  1.0 1.0
   65    66    41    46  -0.11900 -1.0 2.0
   65    66    41    46   0.24250  1.0 3.0
   65    72    73    74   0.00000  1.0 1.0
   65    72    73    75   0.09850  1.0 1.0
   65    72    73    75   0.15250 -1.0 2.0
   65    72    73    75  -0.50650  1.0 3.0
   65    72    73    79   0.09850  1.0 1.0
   65    72    73    79   0.15250 -1.0 2.0
   65    72    73    79  -0.50650  1.0 3.0
   66    65    72    71   7.00000 -1.0 2.0
   66    65    72    73   7.00000 -1.0 2.0
   66    67    69    70   1.00000 -1.0 2.0
   66    67   -69    71  -0.56150  1.0 1.0
   66    67   -69    71   2.19150 -1.0 2.0
   66    41    44    50   0.34400  1.0 1.0
   66    41    44    50   0.09450 -1.0 2.0
   66    41    44    50   0.11100  1.0 3.0
   66    41   -44    60   0.34400  1.0 1.0
   66    41   -44    60   0.09450 -1.0 2.0
   66    41   -44    60   0.11100  1.0 3.0
   66    41    44    45   0.15000  1.0 3.0
   66    41    46    47   0.15000  1.0 3.0
   66    41    46    48   0.15000  1.0 3.0
   66    41    46    49   0.15000  1.0 3.0
   67    66    41    33   0.09850  1.0 1.0
   67    66    41    33   0.15250 -1.0 2.0
   67    66    41    33  -0.50650  1.0 3.0
   67    66    41    44   0.09850  1.0 1.0
   67    66    41    44   0.15250 -1.0 2.0
   67    66    41    44  -0.50650  1.0 3.0
   67    66    41    46   0.09850  1.0 1.0
   67    66    41    46   0.15250 -1.0 2.0
   67    66    41    46  -0.50650  1.0 3.0
   67    69    71    72   2.00000 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   1.63100 -1.0 2.0
   69    71   -72    65  -1.93650  1.0 1.0
   69    71   -72    65   2.17750 -1.0 2.0
   69    71   -72    65  -0.40250  1.0 3.0
   69    71    72    73   2.00000 -1.0 2.0
   70    69    71    72   3.00000 -1.0 2.0
   71    72    73    74   0.00000  1.0 1.0
   71    72    73    75   0.09700  1.0 1.0
   71    72    73    75   0.15600 -1.0 2.0
   71    72    73    75  -0.50800  1.0 3.0
   71    72    73    79   0.09700  1.0 1.0
   71    72    73    79   0.15600 -1.0 2.0
   71    72    73    79  -0.50800  1.0 3.0
   72    65   -66    67   0.28850  1.0 1.0
   72    65   -66    67   2.61350 -1.0 2.0
   72    65   -66    67   0.78400  1.0 3.0
   72    65    66    41  -0.18600  1.0 3.0
   72    73    75    76   0.15000  1.0 3.0
   72    73    75    77   0.15000  1.0 3.0
   72    73    75    78   0.15000  1.0 3.0
   72    73    79    80   0.15000  1.0 3.0
   72    73    79    81   0.15000  1.0 3.0
   72    73    79    82   0.15000  1.0 3.0
   74    73    75    76   0.15000  1.0 3.0
   74    73    75    77   0.15000  1.0 3.0
   74    73    75    78   0.15000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    82   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   75    73    79    82   0.15000  1.0 3.0
   79    73    75    76   0.15000  1.0 3.0
   79    73    75    77   0.15000  1.0 3.0
   79    73    75    78   0.15000  1.0 3.0
   41    33    38    39   0.62750  1.0 1.0
   41    33    38    39  -0.30950 -1.0 2.0
   41    33    38    39   0.27300  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42   0.56750  1.0 1.0
   41    33   -38    42  -0.07550 -1.0 2.0
   41    33   -38    42   0.20000  1.0 3.0
   41    66    67    68   7.00000 -1.0 2.0
   41    66    67    69   7.00000 -1.0 2.0
   44    50    53    54   0.30150 -1.0 2.0
   44    50   -53    59   0.36750  1.0 3.0
   44    50    55    56   0.15000  1.0 3.0
   44    50    55    57   0.15000  1.0 3.0
   44    50    55    58   0.15000  1.0 3.0
   44    60    62    63   0.15000  1.0 3.0
   44    60    62    64   0.15000  1.0 3.0
   44    60   -62    65   0.34400  1.0 1.0
   44    60   -62    65   0.09450 -1.0 2.0
   44    60   -62    65   0.11100  1.0 3.0
   44    41    46    47   0.15000  1.0 3.0
   44    41    46    48   0.15000  1.0 3.0
   44    41    46    49   0.15000  1.0 3.0
   46    41    44    50   0.56750  1.0 1.0
   46    41    44    50  -0.07550 -1.0 2.0
   46    41    44    50   0.20000  1.0 3.0
   46    41    44    60   0.56750  1.0 1.0
   46    41    44    60  -0.07550 -1.0 2.0
   46    41    44    60   0.20000  1.0 3.0
   46    41    44    45   0.15000  1.0 3.0
   55    50    53    54   0.30150 -1.0 2.0
   55    50    53    59   0.36750  1.0 3.0
   55    50    44    60   0.56750  1.0 1.0
   55    50    44    60  -0.07550 -1.0 2.0
   55    50    44    60   0.20000  1.0 3.0
   55    50    44    41   0.56750  1.0 1.0
   55    50    44    41  -0.07550 -1.0 2.0
   55    50    44    41   0.20000  1.0 3.0
   55    50    44    45   0.15000  1.0 3.0
   51    42    50    53  -0.09450  1.0 1.0
   51    42    50    53  -1.12950 -1.0 2.0
   51    42    50    53   0.54000  1.0 3.0
   51    42    50    44   0.86500  1.0 1.0
   51    42    50    44  -0.17500 -1.0 2.0
   51    42    50    44   0.20800  1.0 3.0
   51    42    50    55   0.86500  1.0 1.0
   51    42    50    55  -0.17500 -1.0 2.0
   51    42    50    55   0.20800  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
   37    30    35    36  10.50000 -1.0 2.0
   50    59    53    54  10.50000 -1.0 2.0
   62    66    65    72   1.10000 -1.0 2.0
   65    41    66    67   1.10000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   67    71    69    70  10.50000 -1.0 2.0
   71    73    72    65   1.10000 -1.0 2.0
END
