* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    144    219     417
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02102    91.89108   -65.97358
    3     1 S   H    _H1_     3     1.02086    88.60915    42.69206
    4     1 S   H    _H2_     4     1.02109    32.96952   171.53098
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C15    36     1.85586    97.24408  -178.13156
   34    33 S   HC   _H3_    37     1.09748   105.95022   -34.37096
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C10    38     1.50201   104.74445    79.94938
   39    38 S   HC   _H26    39     1.09085   115.47225   -71.29704
   40    38 S   CMA  _C11    40     1.34617   126.23103   107.68793
   41    40 S   OM   _O19    41     1.26240   129.45937  -178.91610
   42    40 S   CT   _C12    42     1.52083   119.17615     2.39016
   43    42 S   HC   _H27    43     1.10011   106.49730   114.07644
   44    42 S   HC   _H28    44     1.10166   110.24798  -132.00529
   45    42 S   CT   _C16    45     1.55843   117.59034    -9.57711
   46    45 S   HC   _H34    46     1.09821   109.16569   -91.88155
   47    33 S   CT   _C17    47     1.55973   113.52768  -153.28541
   48    47 S   CA   _C7_    48     1.55617   109.91737    47.35288
   49    47 S   CT   _C13    67     1.55835   113.23352   167.56960
   50    49 S   HC   _H29    68     1.09710   111.51659    33.35483
   51    49 S   HC   _H30    69     1.09619   112.35624   -87.13044
   52    48 S   CA   _C4_    49     1.39532   119.95074    63.64897
   53    52 S   HA   _H23    50     1.08640   120.51760    -0.04846
   54    49 S   CT   _C14    70     1.53648   105.00122   151.70873
   55    54 S   HC   _H31    71     1.09428   111.06297   109.67191
   56    54 S   HC   _H32    72     1.09637   109.61007  -130.79897
   57    52 S   CA   _C5_    51     1.39481   119.97537   179.87333
   58    57 S   HA   _H24    52     1.08607   119.61292   179.96044
   59    45 S   NT   _N18    73     1.47319   112.23970   145.93450
   60    57 S   CA   _C8_    53     1.39535   119.98102    -0.04423
   61    59 S   CT   _C18    74     1.44932   116.85687    52.10242
   62    61 S   HC   _H35    75     1.09326   110.12307    53.47525
   63    61 S   HC   _H36    76     1.09285   110.26034   -66.54669
   64    61 S   HC   _H37    77     1.09416   110.22353   173.47208
   65    60 S   CA   _C9_    54     1.39399   120.02459     0.04423
   66    60 S   OS   _O20    62     1.36260   119.38670   179.97202
   67    48 S   CA   _C6_    55     1.39438   120.00448  -116.50653
   68    67 S   HA   _H25    56     1.08672   120.19370     0.09487
   69    65 S   OS   _O21    57     1.36185   120.56301   179.94405
   70    66 S   CT   _C19    63     1.42602   117.01012    90.02898
   71    70 S   HC   _H38    64     1.09262   109.54171   180.00000
   72    70 S   HC   _H39    65     1.09298   109.51037    59.17582
   73    70 S   HC   _H40    66     1.09285   109.01277   -60.39502
   74    69 S   CT   _C20    58     1.42594   117.07688  -179.97202
   75    74 S   HC   _H41    59     1.09264   109.56316  -179.97202
   76    74 S   HC   _H42    60     1.09257   109.54667    59.17335
   77    74 S   HC   _H43    61     1.09320   108.95053   -60.44834
  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   9   5   4   3
  17   7   2   1   1  10   4   8   4  10   5   4  16   6  15  14
   9   5   4   8   4   7   3   2   7   3   4  10   3   2   1   1
   9   6   3   1   4   3   2   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    47    48    52    67    49    50    51    54    59  
   38    39    40    45    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    48    49  
   40    41    42    47  
   41    42    43    44    45    46    47    59  
   42    43    44    45  
   43    44    45    46    47    48    49    54    59    61  
   44    45    46    47    59  
   45    46    47    59  
   46    47    48    52    67    49    50    51    54    55    56    59    61    62    63    64  
   47    48    49    54    59    61  
   48    52    53    57    65    67    68    49    50    51    54    55    56    59    61  
   52    53    57    58    60    65    67    68    69    49    50    51    54    59  
   50    51    54    55    56    59    61    52    67  
   51    54    55    56    59  
   54    55    56    59  
   53    57    58    60    65    67    68    66  
   57    58    60    67  
   55    56    59    61    62    63    64  
   56    59    61  
   59    61  
   58    60    65    67    69    66    70  
   60    65    66  
   61    62    63    64  
   65    67    68    69    74    66    70    71    72    73  
   62    63    64  
   63    64  
   64  
    0  
   67    68    69    74    75    76    77    66    70  
   70    71    72    73    67    69  
   68    69    74  
   69  
   74    75    76    77  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   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   317.000  1.510
   33    47   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    59   382.000  1.448
   47    48   317.000  1.510
   47    49   268.000  1.529
   48    52   469.000  1.400
   48    67   469.000  1.400
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    65   469.000  1.400
   60    66   450.000  1.364
   65    67   469.000  1.400
   65    69   450.000  1.364
   67    68   367.000  1.080
   69    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   66    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   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    56   340.000  1.090
   54    59   382.000  1.448
   59    61   382.000  1.448
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    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  112.20000
   29    33    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    45    58.35000  112.70000
   33    47    48    70.00000  112.17500
   33    47    49    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    45.00000  110.52000
   40    42    45    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    45    46    37.50000  110.70000
   42    45    47    58.35000  112.70000
   42    45    59    56.20000  109.47000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    47    48    70.00000  112.17500
   45    47    49    58.35000  112.70000
   45    59    54    51.80000  107.20000
   45    59    61    51.80000  107.20000
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    45    46    37.50000  110.70000
   47    48    52    70.00000  120.00000
   47    48    67    70.00000  120.00000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    58.35000  112.70000
   48    52    53    35.00000  120.00000
   48    52    57    63.00000  120.00000
   48    67    65    63.00000  120.00000
   48    67    68    35.00000  120.00000
   52    57    58    35.00000  120.00000
   52    57    60    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    60    65    63.00000  120.00000
   57    60    66    70.00000  120.00000
   60    57    58    35.00000  120.00000
   60    65    67    63.00000  120.00000
   60    65    69    70.00000  120.00000
   60    66    70    75.00000  111.00000
   65    67    68    35.00000  120.00000
   65    69    74    75.00000  111.00000
   67    48    52    63.00000  120.00000
   69    65    67    70.00000  120.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   66    60    65    70.00000  120.00000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   49    47    48    70.00000  112.17500
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    59    56.20000  109.47000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    59    61    51.80000  107.20000
   56    54    55    33.00000  107.80000
   59    45    46    35.00000  109.50000
   59    45    47    56.20000  109.47000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    45   0.44750  1.0 1.0
   29    33    47    45  -0.17800 -1.0 2.0
   29    33    47    45   0.20200  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    47    48    52   0.04150 -1.0 2.0
   33    47    48    67   0.04150 -1.0 2.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   33    47    49    54   0.56750  1.0 1.0
   33    47    49    54  -0.07550 -1.0 2.0
   33    47    49    54   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    45   0.15000  1.0 3.0
   34    33    47    48   0.43200  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    45   0.34400  1.0 1.0
   38    33    47    45   0.09450 -1.0 2.0
   38    33    47    45   0.11100  1.0 3.0
   38    33    47    48   0.21200  1.0 1.0
   38    33    47    48   0.16900 -1.0 2.0
   38    33    47    48  -1.15100  1.0 3.0
   38    33    47    49   0.34400  1.0 1.0
   38    33    47    49   0.09450 -1.0 2.0
   38    33    47    49   0.11100  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    47   0.34400  1.0 1.0
   40    42    45    47   0.09450 -1.0 2.0
   40    42    45    47   0.11100  1.0 3.0
   40    42    45    59   0.59950  1.0 1.0
   40    42    45    59  -0.21400 -1.0 2.0
   40    42    45    59   0.56200  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   42    45   -47    33   0.56750  1.0 1.0
   42    45   -47    33  -0.07550 -1.0 2.0
   42    45   -47    33   0.20000  1.0 3.0
   42    45    47    48  -0.03700  1.0 1.0
   42    45    47    48   0.37200 -1.0 2.0
   42    45    47    48  -0.47300  1.0 3.0
   42    45    47    49   0.56750  1.0 1.0
   42    45    47    49  -0.07550 -1.0 2.0
   42    45    47    49   0.20000  1.0 3.0
   42    45    59    54   0.23450  1.0 1.0
   42    45    59    54   0.02050 -1.0 2.0
   42    45    59    54   0.25250  1.0 3.0
   42    45    59    61   0.58650  1.0 1.0
   42    45    59    61   0.12600 -1.0 2.0
   42    45    59    61   0.33350  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    59   0.15000  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    59   0.15000  1.0 3.0
   45    47    48    52   0.04150 -1.0 2.0
   45    47    48    67   0.04150 -1.0 2.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    51   0.15000  1.0 3.0
   45    47   -49    54   0.56750  1.0 1.0
   45    47   -49    54  -0.07550 -1.0 2.0
   45    47   -49    54   0.20000  1.0 3.0
   45    59    61    62   0.28000  1.0 3.0
   45    59    61    63   0.28000  1.0 3.0
   45    59    61    64   0.28000  1.0 3.0
   46    45    47    33   0.15000  1.0 3.0
   46    45    47    48   0.43200  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    59    54   0.28000  1.0 3.0
   46    45    59    61   0.28000  1.0 3.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   47    45   -59    54   0.23450  1.0 1.0
   47    45   -59    54   0.02050 -1.0 2.0
   47    45   -59    54   0.25250  1.0 3.0
   47    45    59    61   0.58650  1.0 1.0
   47    45    59    61   0.12600 -1.0 2.0
   47    45    59    61   0.33350  1.0 3.0
   47    48    52    53   3.62500 -1.0 2.0
   47    48    52    57   3.62500 -1.0 2.0
   47    48    67    65   3.62500 -1.0 2.0
   47    48    67    68   3.62500 -1.0 2.0
   47    49    54    55   0.15000  1.0 3.0
   47    49    54    56   0.15000  1.0 3.0
   47    49   -54    59   1.53400  1.0 1.0
   47    49   -54    59  -0.09950 -1.0 2.0
   47    49   -54    59   0.05700  1.0 3.0
   48    47    49    50   0.43200  1.0 3.0
   48    47    49    51   0.43200  1.0 3.0
   48    47    49    54  -0.03700  1.0 1.0
   48    47    49    54   0.37200 -1.0 2.0
   48    47    49    54  -0.47300  1.0 3.0
   48    52    57    58   3.62500 -1.0 2.0
   48    52    57    60   3.62500 -1.0 2.0
   52    48    67    65   3.62500 -1.0 2.0
   52    48    67    68   3.62500 -1.0 2.0
   52    57   -60    65   3.62500 -1.0 2.0
   52    57    60    66   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   53    52    57    60   3.62500 -1.0 2.0
   57    60    65    67   3.62500 -1.0 2.0
   57    60    65    69   3.62500 -1.0 2.0
   57    60    66    70   1.63200 -1.0 2.0
   58    57    60    65   3.62500 -1.0 2.0
   58    57    60    66   3.62500 -1.0 2.0
   60    65   -67    48   3.62500 -1.0 2.0
   60    65    67    68   3.62500 -1.0 2.0
   60    65    69    74   1.63200 -1.0 2.0
   60    66    70    71   0.08050  1.0 3.0
   60    66    70    72   0.08050  1.0 3.0
   60    66    70    73   0.08050  1.0 3.0
   65    60    66    70   1.63200 -1.0 2.0
   65    69    74    75   0.08050  1.0 3.0
   65    69    74    76   0.08050  1.0 3.0
   65    69    74    77   0.08050  1.0 3.0
   67    48    52    53   3.62500 -1.0 2.0
   67    48   -52    57   3.62500 -1.0 2.0
   67    65    69    74   1.63200 -1.0 2.0
   69    65    67    48   3.62500 -1.0 2.0
   69    65    67    68   3.62500 -1.0 2.0
   66    60    65    67   3.62500 -1.0 2.0
   66    60    65    69   3.62500 -1.0 2.0
   49    47    48    52   0.04150 -1.0 2.0
   49    47    48    67   0.04150 -1.0 2.0
   49    54   -59    45   0.23450  1.0 1.0
   49    54   -59    45   0.02050 -1.0 2.0
   49    54   -59    45   0.25250  1.0 3.0
   49    54    59    61   0.58650  1.0 1.0
   49    54    59    61   0.12600 -1.0 2.0
   49    54    59    61   0.33350  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    59   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    59   0.15000  1.0 3.0
   54    59    61    62   0.28000  1.0 3.0
   54    59    61    63   0.28000  1.0 3.0
   54    59    61    64   0.28000  1.0 3.0
   55    54    59    45   0.28000  1.0 3.0
   55    54    59    61   0.28000  1.0 3.0
   56    54    59    45   0.28000  1.0 3.0
   56    54    59    61   0.28000  1.0 3.0
   59    45    47    33   1.53400  1.0 1.0
   59    45    47    33  -0.09950 -1.0 2.0
   59    45    47    33   0.05700  1.0 3.0
   59    45    47    48   0.83750  1.0 1.0
   59    45    47    48   0.32200 -1.0 2.0
   59    45    47    48   0.70600  1.0 3.0
   59    45   -47    49   1.53400  1.0 1.0
   59    45   -47    49  -0.09950 -1.0 2.0
   59    45   -47    49   0.05700  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   52    67    48    47   4.00000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   60    58    57    52   1.10000 -1.0 2.0
   65    66    60    57   4.00000 -1.0 2.0
   67    69    65    60   4.00000 -1.0 2.0
   65    68    67    48   1.10000 -1.0 2.0
END
