* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    161    266     486
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02042    70.97611    66.96918
    3     1 S   H    _H1_     3     1.02103    42.44379  -141.49958
    4     1 S   H    _H2_     4     1.02109   103.49807   -38.42435
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.84649    97.37966  -158.12891
   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   CM   _C4_    37     1.50812   107.61134  -160.02542
   38    37 S   HC   _H22    38     1.09319   115.04425    60.47822
   39    33 S   CT   _C8_    68     1.53879   110.13875    75.92225
   40    39 S   HC   _H27    69     1.09680   111.71746   -31.80898
   41    39 S   HC   _H28    70     1.09942   108.40516  -146.70986
   42    33 S   CT   _C19    77     1.53852   106.44988   -42.78101
   43    42 S   HC   _H40    78     1.08547   109.27044    64.03394
   44    42 S   HC   _H41    79     1.08428   109.30282   -56.01666
   45    42 S   HC   _H42    80     1.08511   109.27787  -176.06946
   46    37 S   CMA  _C5_    39     1.35197   127.66414  -120.51601
   47    46 S   OM   _O19    40     1.26366   127.47044  -178.71093
   48    46 S   CT   _C18    41     1.55610   119.52964     0.16071
   49    48 S   CT   _C9_    42     1.55938   111.77415  -102.92963
   50    49 S   HC   _H29    43     1.09729   110.60970   115.69752
   51    49 S   HC   _H30    44     1.09590   113.30526    -3.01766
   52    48 S   CT   _C15    59     1.57165   116.60189   136.05225
   53    52 S   HC   _H38    60     1.09518   112.25558    28.77729
   54    49 S   CT   _C14    45     1.53751   106.79509  -125.94381
   55    54 S   HC   _H37    46     1.09858   109.78835  -142.44191
   56    52 S   CT   _C16    61     1.54314   106.46319   -89.74774
   57    56 S   HC   _H39    62     1.09583   110.57303   110.99818
   58    54 S   CT   _C11    47     1.53796   111.78552    97.81383
   59    58 S   HC   _H33    48     1.09628   111.10721   -46.38198
   60    58 S   HC   _H34    49     1.09794   107.89504    70.17458
   61    56 S   CT   _C7_    63     1.53017   106.43426    -7.91554
   62    61 S   HC   _H25    64     1.09549   113.00428  -140.23224
   63    61 S   HC   _H26    65     1.09285   108.42107   100.17793
   64    56 S   OH   _O20    71     1.41855   112.26804  -128.56798
   65    64 S   HO   _H46    72     0.97207   106.96297   178.51089
   66    58 S   NT   _N18    50     1.46848   111.24654  -169.53570
   67    48 S   CT   _C13    66     1.55726   111.70254    21.86371
   68    67 S   HC   _H36    67     1.09910   109.72413  -164.93933
   69    66 S   CT   _C10    51     1.46805   110.24685    61.76217
   70    69 S   HC   _H31    52     1.09771   109.67204   178.77427
   71    69 S   HC   _H32    53     1.09743   111.24536    60.75028
   72    66 S   CT   _C20    73     1.46283   110.39144  -176.01778
   73    72 S   HC   _H43    74     1.09282   110.13265    57.79274
   74    72 S   HC   _H44    75     1.09405   110.22246   -62.16904
   75    72 S   HC   _H45    76     1.09293   110.22153   177.87809
   76    69 S   CT   _C6_    54     1.52815   110.79810   -62.27960
   77    76 S   HC   _H23    55     1.09364   109.16321   178.18070
   78    76 S   HC   _H24    56     1.09911   108.13155   -66.70501
   79    54 S   CT   _C12    57     1.53282   104.40353   -25.04470
   80    79 S   HC   _H35    58     1.09791   108.37346   -76.80473
  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   5  16   6   5   5   2   1   1  13   4  19
  17   7   6  19   9  14   7  11   7  13   5   4   7   4   3   3
   1  11   2   1  11   6   5   4   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    67    39    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    48    61    67    68    39    40    41    42    43    44    45  
   35    36  
   36  
    0  
   38    46    47    48    49    52    67    39    40    41    42    43    44    45  
   46    47    48    39    42  
   40    41    42    43    44    45    46    48    49    52    56    61    62    63    67    68  
   41    42    48    61    67    68  
   42    48    61    67    68  
   43    44    45    46    67  
   44    45  
   45  
    0  
   47    48    49    50    51    54    79    52    53    56    61    67    68  
   48    49    52    67  
   49    50    51    54    55    58    76    79    80    52    53    56    57    61    62    63    67    68    64  
   50    51    54    55    58    59    60    66    76    79    80    52    53    56    61    67    68  
   51    54    55    58    79    52    67  
   54    55    58    79    52    67  
   53    56    57    61    62    63    67    68    64    65    54    55    58    69    76    77    78    79    80  
   56    57    61    67    64    54    76    79    80  
   55    58    59    60    66    69    76    77    78    79    80    56    67    72  
   58    59    60    66    76    79    80  
   57    61    62    63    67    68    64    65    76    79    80  
   61    62    63    67    64    65    79  
   59    60    66    69    70    71    76    79    80    72    73    74    75  
   60    66    69    79    72  
   66    69    79    72  
   62    63    67    68    64    65    79  
   63    67    68    64  
   67    68    64  
   65    67    79  
    0  
   69    70    71    76    77    78    79    72    73    74    75  
   68    79  
    0  
   70    71    76    77    78    79    80    72    73    74    75  
   71    76    77    78    79    72  
   76    77    78    79    72  
   73    74    75    76  
   74    75  
   75  
    0  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   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    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    39   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.080
   37    46   465.000  1.376
   46    47   745.000  1.250
   46    48   270.000  1.512
   48    49   268.000  1.529
   48    52   268.000  1.529
   48    67   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    79   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   382.000  1.448
   66    69   382.000  1.448
   66    72   382.000  1.448
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    52   268.000  1.529
   52    53   340.000  1.090
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    61   268.000  1.529
   56    64   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   268.000  1.529
   67    68   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   64    65   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    65.00000  137.10300
   37    46    48    65.00000  122.18000
   46    37    38    40.00000  120.50800
   46    48    49    70.00000  112.02700
   46    48    52    70.00000  112.02700
   46    48    67    70.00000  112.02700
   48    46    47    85.00000  112.85300
   48    49    50    37.50000  110.70000
   48    49    51    37.50000  110.70000
   48    49    54    58.35000  112.70000
   48    52    79    58.35000  112.70000
   48    52    53    37.50000  110.70000
   48    52    56    58.35000  112.70000
   48    67    61    58.35000  112.70000
   48    67    68    37.50000  110.70000
   48    67    39    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    58    58.35000  112.70000
   49    54    79    58.35000  112.70000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    66    56.20000  109.47000
   54    79    76    58.35000  112.70000
   54    79    80    37.50000  110.70000
   54    79    52    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    66    69    51.80000  107.20000
   58    66    72    51.80000  107.20000
   60    58    59    33.00000  107.80000
   66    58    59    35.00000  109.50000
   66    58    60    35.00000  109.50000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    76    56.20000  109.47000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    79    58.35000  112.70000
   71    69    70    33.00000  107.80000
   76    69    70    37.50000  110.70000
   76    69    71    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    52    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    54    55    37.50000  110.70000
   79    54    58    58.35000  112.70000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    52    53    37.50000  110.70000
   79    52    56    58.35000  112.70000
   52    48    49    58.35000  112.70000
   52    79    80    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    61    58.35000  112.70000
   52    56    64    50.00000  109.50000
   56    52    53    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    67    58.35000  112.70000
   56    64    65    55.00000  108.50000
   61    56    57    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    39    58.35000  112.70000
   63    61    62    33.00000  107.80000
   67    48    49    58.35000  112.70000
   67    48    52    58.35000  112.70000
   67    61    62    37.50000  110.70000
   67    61    63    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    41    37.50000  110.70000
   39    33    37    70.00000  112.02700
   39    67    68    37.50000  110.70000
   41    39    40    33.00000  107.80000
   64    56    57    35.00000  109.50000
   64    56    61    50.00000  109.50000
   72    66    69    51.80000  107.20000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   42    33    37    70.00000  112.02700
   42    33    39    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  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    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    48   7.00000 -1.0 2.0
   37    33    39    67   0.34400  1.0 1.0
   37    33    39    67   0.09450 -1.0 2.0
   37    33    39    67   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    48    49   0.09850  1.0 1.0
   37    46    48    49   0.15250 -1.0 2.0
   37    46    48    49  -0.50650  1.0 3.0
   37    46    48    52   0.09850  1.0 1.0
   37    46    48    52   0.15250 -1.0 2.0
   37    46    48    52  -0.50650  1.0 3.0
   37    46   -48    67   0.09850  1.0 1.0
   37    46   -48    67   0.15250 -1.0 2.0
   37    46   -48    67  -0.50650  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    48   7.00000 -1.0 2.0
   46    48    49    50   0.15000  1.0 3.0
   46    48    49    51   0.15000  1.0 3.0
   46    48    49    54   0.34400  1.0 1.0
   46    48    49    54   0.09450 -1.0 2.0
   46    48    49    54   0.11100  1.0 3.0
   46    48    52    79   0.34400  1.0 1.0
   46    48    52    79   0.09450 -1.0 2.0
   46    48    52    79   0.11100  1.0 3.0
   46    48    52    53   0.15000  1.0 3.0
   46    48    52    56   0.34400  1.0 1.0
   46    48    52    56   0.09450 -1.0 2.0
   46    48    52    56   0.11100  1.0 3.0
   46    48    67    61   0.34400  1.0 1.0
   46    48    67    61   0.09450 -1.0 2.0
   46    48    67    61   0.11100  1.0 3.0
   46    48    67    68   0.15000  1.0 3.0
   46    48    67    39   0.34400  1.0 1.0
   46    48    67    39   0.09450 -1.0 2.0
   46    48    67    39   0.11100  1.0 3.0
   47    46    48    49   0.09700  1.0 1.0
   47    46    48    49   0.15600 -1.0 2.0
   47    46    48    49  -0.50800  1.0 3.0
   47    46    48    52   0.09700  1.0 1.0
   47    46    48    52   0.15600 -1.0 2.0
   47    46    48    52  -0.50800  1.0 3.0
   47    46    48    67   0.09700  1.0 1.0
   47    46    48    67   0.15600 -1.0 2.0
   47    46    48    67  -0.50800  1.0 3.0
   48    49    54    55   0.15000  1.0 3.0
   48    49    54    58   0.56750  1.0 1.0
   48    49    54    58  -0.07550 -1.0 2.0
   48    49    54    58   0.20000  1.0 3.0
   48    49   -54    79   0.56750  1.0 1.0
   48    49   -54    79  -0.07550 -1.0 2.0
   48    49   -54    79   0.20000  1.0 3.0
   48    52    56    57   0.15000  1.0 3.0
   48    52   -56    61   0.56750  1.0 1.0
   48    52   -56    61  -0.07550 -1.0 2.0
   48    52   -56    61   0.20000  1.0 3.0
   48    52    56    64   0.86500  1.0 1.0
   48    52    56    64  -0.17500 -1.0 2.0
   48    52    56    64   0.20800  1.0 3.0
   48    67   -39    33   0.56750  1.0 1.0
   48    67   -39    33  -0.07550 -1.0 2.0
   48    67   -39    33   0.20000  1.0 3.0
   48    67    39    40   0.15000  1.0 3.0
   48    67    39    41   0.15000  1.0 3.0
   49    48   -52    79   0.56750  1.0 1.0
   49    48   -52    79  -0.07550 -1.0 2.0
   49    48   -52    79   0.20000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    56   0.56750  1.0 1.0
   49    48    52    56  -0.07550 -1.0 2.0
   49    48    52    56   0.20000  1.0 3.0
   49    48    67    61   0.56750  1.0 1.0
   49    48    67    61  -0.07550 -1.0 2.0
   49    48    67    61   0.20000  1.0 3.0
   49    48    67    68   0.15000  1.0 3.0
   49    48    67    39   0.56750  1.0 1.0
   49    48    67    39  -0.07550 -1.0 2.0
   49    48    67    39   0.20000  1.0 3.0
   49    54    58    59   0.15000  1.0 3.0
   49    54    58    60   0.15000  1.0 3.0
   49    54    58    66   1.53400  1.0 1.0
   49    54    58    66  -0.09950 -1.0 2.0
   49    54    58    66   0.05700  1.0 3.0
   49    54    79    76   0.56750  1.0 1.0
   49    54    79    76  -0.07550 -1.0 2.0
   49    54    79    76   0.20000  1.0 3.0
   49    54    79    80   0.15000  1.0 3.0
   49    54   -79    52   0.56750  1.0 1.0
   49    54   -79    52  -0.07550 -1.0 2.0
   49    54   -79    52   0.20000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    58   0.15000  1.0 3.0
   50    49    54    79   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    58   0.15000  1.0 3.0
   51    49    54    79   0.15000  1.0 3.0
   54    58    66    69   0.23450  1.0 1.0
   54    58    66    69   0.02050 -1.0 2.0
   54    58    66    69   0.25250  1.0 3.0
   54    58    66    72   0.58650  1.0 1.0
   54    58    66    72   0.12600 -1.0 2.0
   54    58    66    72   0.33350  1.0 3.0
   54    79   -52    48   0.56750  1.0 1.0
   54    79   -52    48  -0.07550 -1.0 2.0
   54    79   -52    48   0.20000  1.0 3.0
   54    79    52    53   0.15000  1.0 3.0
   54    79    52    56   0.56750  1.0 1.0
   54    79    52    56  -0.07550 -1.0 2.0
   54    79    52    56   0.20000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    66   0.15000  1.0 3.0
   55    54    79    76   0.15000  1.0 3.0
   55    54    79    80   0.15000  1.0 3.0
   55    54    79    52   0.15000  1.0 3.0
   58    54    79    76   0.56750  1.0 1.0
   58    54    79    76  -0.07550 -1.0 2.0
   58    54    79    76   0.20000  1.0 3.0
   58    54    79    80   0.15000  1.0 3.0
   58    54    79    52   0.56750  1.0 1.0
   58    54    79    52  -0.07550 -1.0 2.0
   58    54    79    52   0.20000  1.0 3.0
   58    66    69    70   0.28000  1.0 3.0
   58    66    69    71   0.28000  1.0 3.0
   58    66   -69    76   0.23450  1.0 1.0
   58    66   -69    76   0.02050 -1.0 2.0
   58    66   -69    76   0.25250  1.0 3.0
   58    66    72    73   0.28000  1.0 3.0
   58    66    72    74   0.28000  1.0 3.0
   58    66    72    75   0.28000  1.0 3.0
   59    58    66    69   0.28000  1.0 3.0
   59    58    66    72   0.28000  1.0 3.0
   60    58    66    69   0.28000  1.0 3.0
   60    58    66    72   0.28000  1.0 3.0
   66    69    76    77   0.15000  1.0 3.0
   66    69    76    78   0.15000  1.0 3.0
   66    69    76    79   1.53400  1.0 1.0
   66    69    76    79  -0.09950 -1.0 2.0
   66    69    76    79   0.05700  1.0 3.0
   69    66    72    73   0.28000  1.0 3.0
   69    66    72    74   0.28000  1.0 3.0
   69    66    72    75   0.28000  1.0 3.0
   69    76   -79    54   0.56750  1.0 1.0
   69    76   -79    54  -0.07550 -1.0 2.0
   69    76   -79    54   0.20000  1.0 3.0
   69    76    79    80   0.15000  1.0 3.0
   69    76    79    52   0.56750  1.0 1.0
   69    76    79    52  -0.07550 -1.0 2.0
   69    76    79    52   0.20000  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   70    69    76    79   0.15000  1.0 3.0
   71    69    76    77   0.15000  1.0 3.0
   71    69    76    78   0.15000  1.0 3.0
   71    69    76    79   0.15000  1.0 3.0
   76    79    52    48   0.56750  1.0 1.0
   76    79    52    48  -0.07550 -1.0 2.0
   76    79    52    48   0.20000  1.0 3.0
   76    79    52    53   0.15000  1.0 3.0
   76    79    52    56   0.56750  1.0 1.0
   76    79    52    56  -0.07550 -1.0 2.0
   76    79    52    56   0.20000  1.0 3.0
   77    76    79    54   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    52   0.15000  1.0 3.0
   78    76    79    54   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    52   0.15000  1.0 3.0
   79    54    58    59   0.15000  1.0 3.0
   79    54    58    60   0.15000  1.0 3.0
   79    54   -58    66   1.53400  1.0 1.0
   79    54   -58    66  -0.09950 -1.0 2.0
   79    54   -58    66   0.05700  1.0 3.0
   79    52    56    57   0.15000  1.0 3.0
   79    52    56    61   0.56750  1.0 1.0
   79    52    56    61  -0.07550 -1.0 2.0
   79    52    56    61   0.20000  1.0 3.0
   79    52    56    64   0.86500  1.0 1.0
   79    52    56    64  -0.17500 -1.0 2.0
   79    52    56    64   0.20800  1.0 3.0
   80    79    52    48   0.15000  1.0 3.0
   80    79    52    53   0.15000  1.0 3.0
   80    79    52    56   0.15000  1.0 3.0
   52    48    49    50   0.15000  1.0 3.0
   52    48    49    51   0.15000  1.0 3.0
   52    48   -49    54   0.56750  1.0 1.0
   52    48   -49    54  -0.07550 -1.0 2.0
   52    48   -49    54   0.20000  1.0 3.0
   52    48   -67    61   0.56750  1.0 1.0
   52    48   -67    61  -0.07550 -1.0 2.0
   52    48   -67    61   0.20000  1.0 3.0
   52    48    67    68   0.15000  1.0 3.0
   52    48    67    39   0.56750  1.0 1.0
   52    48    67    39  -0.07550 -1.0 2.0
   52    48    67    39   0.20000  1.0 3.0
   52    56    61    62   0.15000  1.0 3.0
   52    56    61    63   0.15000  1.0 3.0
   52    56   -61    67   0.56750  1.0 1.0
   52    56   -61    67  -0.07550 -1.0 2.0
   52    56   -61    67   0.20000  1.0 3.0
   52    56    64    65  -0.11600  1.0 1.0
   52    56    64    65  -0.09450 -1.0 2.0
   52    56    64    65   0.21250  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    61   0.15000  1.0 3.0
   53    52    56    64   0.23400  1.0 3.0
   56    61   -67    48   0.56750  1.0 1.0
   56    61   -67    48  -0.07550 -1.0 2.0
   56    61   -67    48   0.20000  1.0 3.0
   56    61    67    68   0.15000  1.0 3.0
   56    61    67    39   0.56750  1.0 1.0
   56    61    67    39  -0.07550 -1.0 2.0
   56    61    67    39   0.20000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    67   0.15000  1.0 3.0
   57    56    64    65   0.19450  1.0 3.0
   61    56    64    65  -0.11600  1.0 1.0
   61    56    64    65  -0.09450 -1.0 2.0
   61    56    64    65   0.21250  1.0 3.0
   61    67    39    33   0.56750  1.0 1.0
   61    67    39    33  -0.07550 -1.0 2.0
   61    67    39    33   0.20000  1.0 3.0
   61    67    39    40   0.15000  1.0 3.0
   61    67    39    41   0.15000  1.0 3.0
   62    61    67    48   0.15000  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    39   0.15000  1.0 3.0
   63    61    67    48   0.15000  1.0 3.0
   63    61    67    68   0.15000  1.0 3.0
   63    61    67    39   0.15000  1.0 3.0
   67    48    49    50   0.15000  1.0 3.0
   67    48    49    51   0.15000  1.0 3.0
   67    48    49    54   0.56750  1.0 1.0
   67    48    49    54  -0.07550 -1.0 2.0
   67    48    49    54   0.20000  1.0 3.0
   67    48    52    79   0.56750  1.0 1.0
   67    48    52    79  -0.07550 -1.0 2.0
   67    48    52    79   0.20000  1.0 3.0
   67    48    52    53   0.15000  1.0 3.0
   67    48   -52    56   0.56750  1.0 1.0
   67    48   -52    56  -0.07550 -1.0 2.0
   67    48   -52    56   0.20000  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33   -37    46   0.09850  1.0 1.0
   39    33   -37    46   0.15250 -1.0 2.0
   39    33   -37    46  -0.50650  1.0 3.0
   39    33    42    43   0.15000  1.0 3.0
   39    33    42    44   0.15000  1.0 3.0
   39    33    42    45   0.15000  1.0 3.0
   64    56    61    62   0.23400  1.0 3.0
   64    56    61    63   0.23400  1.0 3.0
   64    56    61    67   0.86500  1.0 1.0
   64    56    61    67  -0.17500 -1.0 2.0
   64    56    61    67   0.20800  1.0 3.0
   72    66    69    70   0.28000  1.0 3.0
   72    66    69    71   0.28000  1.0 3.0
   72    66    69    76   0.58650  1.0 1.0
   72    66    69    76   0.12600 -1.0 2.0
   72    66    69    76   0.33350  1.0 3.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    46   0.09850  1.0 1.0
   42    33    37    46   0.15250 -1.0 2.0
   42    33    37    46  -0.50650  1.0 3.0
   42    33    39    67   0.56750  1.0 1.0
   42    33    39    67  -0.07550 -1.0 2.0
   42    33    39    67   0.20000  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   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    38    37    46   1.10000 -1.0 2.0
   48    47    46    37   1.10000 -1.0 2.0
END
