* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    153    236     457
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02134    35.37735  -165.80900
    3     1 S   H    _H1_     3     1.02095    97.79944   -54.52516
    4     1 S   H    _H2_     4     1.02057    81.32357    53.36818
    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   110.56213    58.83396
   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   _C10    36     1.83303    97.52387  -178.13062
   34    33 S   HC   _H3_    37     1.12058   103.67170    33.82919
   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   CT   _C7_    38     1.53361   108.73750   -80.02122
   39    38 S   HC   _H27    39     1.10288   109.74422    83.10954
   40    38 S   HC   _H28    40     1.10524   111.28250   -30.50471
   41    38 S   CT   _C9_    41     1.52879   113.20218  -154.59372
   42    41 S   HC   _H30    42     1.10764   107.92255    94.50437
   43    41 S   CT   _C12    43     1.53670   113.20662   -26.27530
   44    41 S   OH   _O17    78     1.42556   109.49020  -150.55273
   45    44 S   HO   _H45    79     0.97041   106.53337   -59.98964
   46    43 S   CT   _C8_    44     1.53773   112.83426   -69.81055
   47    46 S   HC   _H29    45     1.09736   107.49145    30.02077
   48    43 S   OS   _O16    64     1.43238   112.88285    53.54870
   49    43 S   CT   _C15    74     1.53941   109.56131   170.66348
   50    49 S   HC   _H33    75     1.08377   109.05390   -57.13742
   51    49 S   HC   _H34    76     1.08352   109.07492  -177.08261
   52    49 S   HC   _H35    77     1.08312   109.05887    62.86200
   53    46 S   CT   _C4_    46     1.53270   110.44961   147.98282
   54    53 S   HC   _H21    47     1.09571   109.95991    54.48638
   55    53 S   HC   _H22    48     1.09695   109.62328   -61.79598
   56    33 S   CT   _C14    65     1.54774   115.42363   151.82735
   57    53 S   CT   _C5_    49     1.53074   112.32282   177.14419
   58    57 S   HC   _H23    50     1.09860   107.90937    69.66510
   59    57 S   HC   _H24    51     1.09695   108.81865  -175.83458
   60    56 S   CT   _C17    66     1.54074   111.00275   -64.08732
   61    60 S   HC   _H39    67     1.08458   109.09722   179.97202
   62    60 S   HC   _H40    68     1.08442   109.08048    59.98361
   63    60 S   HC   _H41    69     1.08370   109.12343   -60.04538
   64    56 S   CT   _C18    70     1.53855   113.96915    57.58934
   65    64 S   HC   _H42    71     1.08286   109.07583  -179.98022
   66    64 S   HC   _H43    72     1.08348   109.03395    60.01160
   67    64 S   HC   _H44    73     1.08343   109.06834   -59.98329
   68    57 S   CT   _C13    52     1.53906   114.04782   -51.63112
   69    68 S   Br   BR20    53     2.00404   107.84801   -70.96708
   70    68 S   CT   _C11    54     1.54678   112.73664    47.47123
   71    70 S   Cl   CL19    55     1.80412   111.41872    75.23101
   72    70 S   HC   _H32    56     1.09577   110.35766  -168.81142
   73    68 S   CT   _C16    60     1.53732   110.41802   175.56239
   74    73 S   HC   _H36    61     1.08548   109.30658   179.96044
   75    73 S   HC   _H37    62     1.08510   109.32495    59.99629
   76    73 S   HC   _H38    63     1.08572   109.28110   -60.03996
   77    46 S   CT   _C6_    57     1.53575   110.50600   -88.81296
   78    77 S   HC   _H25    58     1.09790   109.19696   -55.41549
   79    77 S   HC   _H26    59     1.09792   109.63215    59.70206
  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
  18   8   2   1   1  13   6   5  14   6  20   4   1  20  10  15
   6   2   1   1  12   6   5   8  12   5   4   7   3   2   1   3
   2   1   1  11   8   9   5   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    56    60    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    56    60    61    62    63    64    65    66    67    44  
   38    39    40    41    48    56    60    64  
   36    37  
   37  
    0  
   39    40    41    42    43    46    48    56    60    64    49    44    45  
   40    41    42    43    56    44  
   41    42    43    56    44  
   42    43    46    47    53    77    48    56    49    50    51    52    44    45  
   43    46    48    49    44    45  
   46    47    53    54    55    57    70    77    78    79    48    56    60    64    49    50    51    52    44    45  
   45    46    48    49  
    0  
   47    53    54    55    57    58    59    68    70    71    72    77    78    79    48    56    49    50    51    52  
   53    54    55    57    70    77    78    79    48    49  
   56    60    61    62    63    64    65    66    67    49    50    51    52    53    77  
   50    51    52    53    56    77  
   51    52  
   52  
    0  
   54    55    57    58    59    68    69    70    77    78    79    73  
   55    57    58    59    68    77  
   57    58    59    68    77  
   60    61    62    63    64    65    66    67  
   58    59    68    69    70    71    72    77    73    74    75    76  
   59    68    69    70    73  
   68    69    70    73  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    77    78    79    73    74    75    76  
   70    71    72    77    73    74    75    76  
   71    72    77    78    79    73    74    75    76  
   72    77    78    79    73  
   77    78    79    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79  
   79  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660  -0.009500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.017100   1.9750   1.7500   0.005000000  -0.741685710
   69   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   70   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   72   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.069500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   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    56   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    44   320.000  1.410
   43    46   268.000  1.529
   43    48   320.000  1.410
   43    49   268.000  1.529
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    77   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    68   268.000  1.529
   68    69   245.000  1.990
   68    70   268.000  1.529
   68    73   268.000  1.529
   70    71   245.000  1.781
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   48    56   320.000  1.410
   56    60   268.000  1.529
   56    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   44    45   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    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    56    48    50.00000  109.50000
   33    56    60    58.35000  112.70000
   33    56    64    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    44    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    48    50.00000  109.50000
   41    43    49    58.35000  112.70000
   41    44    45    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    53    58.35000  112.70000
   43    46    77    58.35000  112.70000
   43    48    56    60.00000  109.50000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    57    58.35000  112.70000
   46    77    70    58.35000  112.70000
   46    77    78    37.50000  110.70000
   46    77    79    37.50000  110.70000
   53    46    47    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    68    58.35000  112.70000
   55    53    54    33.00000  107.80000
   57    53    54    37.50000  110.70000
   57    53    55    37.50000  110.70000
   57    68    69    70.00000  109.17700
   57    68    70    58.35000  112.70000
   57    68    73    58.35000  112.70000
   59    57    58    33.00000  107.80000
   68    57    58    37.50000  110.70000
   68    57    59    37.50000  110.70000
   68    70    71    69.00000  109.80000
   68    70    72    37.50000  110.70000
   68    70    77    58.35000  112.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   70    68    69    70.00000  109.17700
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   72    70    71    51.00000  107.60000
   77    46    47    37.50000  110.70000
   77    46    53    58.35000  112.70000
   77    70    71    69.00000  109.80000
   77    70    72    37.50000  110.70000
   79    77    78    33.00000  107.80000
   73    68    69    70.00000  109.17700
   73    68    70    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   48    43    46    50.00000  109.50000
   48    56    60    50.00000  109.50000
   48    56    64    50.00000  109.50000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    67    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    56    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   49    43    46    58.35000  112.70000
   49    43    48    50.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    56    48   0.56750  1.0 1.0
   29    33    56    48  -0.07550 -1.0 2.0
   29    33    56    48   0.20000  1.0 3.0
   29    33    56    60   0.44750  1.0 1.0
   29    33    56    60  -0.17800 -1.0 2.0
   29    33    56    60   0.20200  1.0 3.0
   29    33    56    64   0.44750  1.0 1.0
   29    33    56    64  -0.17800 -1.0 2.0
   29    33    56    64   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    44   0.86500  1.0 1.0
   33    38    41    44  -0.17500 -1.0 2.0
   33    38    41    44   0.20800  1.0 3.0
   33    56    60    61   0.15000  1.0 3.0
   33    56    60    62   0.15000  1.0 3.0
   33    56    60    63   0.15000  1.0 3.0
   33    56    64    65   0.15000  1.0 3.0
   33    56    64    66   0.15000  1.0 3.0
   33    56    64    67   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    56    48   0.23400  1.0 3.0
   34    33    56    60   0.15000  1.0 3.0
   34    33    56    64   0.15000  1.0 3.0
   38    33    56    48   0.62750  1.0 1.0
   38    33    56    48  -0.30950 -1.0 2.0
   38    33    56    48   0.27300  1.0 3.0
   38    33    56    60   0.56750  1.0 1.0
   38    33    56    60  -0.07550 -1.0 2.0
   38    33    56    60   0.20000  1.0 3.0
   38    33    56    64   0.56750  1.0 1.0
   38    33    56    64  -0.07550 -1.0 2.0
   38    33    56    64   0.20000  1.0 3.0
   38    41    43    46   0.56750  1.0 1.0
   38    41    43    46  -0.07550 -1.0 2.0
   38    41    43    46   0.20000  1.0 3.0
   38    41   -43    48   0.62750  1.0 1.0
   38    41   -43    48  -0.30950 -1.0 2.0
   38    41   -43    48   0.27300  1.0 3.0
   38    41    43    49   0.56750  1.0 1.0
   38    41    43    49  -0.07550 -1.0 2.0
   38    41    43    49   0.20000  1.0 3.0
   38    41    44    45  -0.11600  1.0 1.0
   38    41    44    45  -0.09450 -1.0 2.0
   38    41    44    45   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.23400  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    53   0.56750  1.0 1.0
   41    43    46    53  -0.07550 -1.0 2.0
   41    43    46    53   0.20000  1.0 3.0
   41    43    46    77   0.56750  1.0 1.0
   41    43    46    77  -0.07550 -1.0 2.0
   41    43    46    77   0.20000  1.0 3.0
   41    43    48    56   0.06250  1.0 1.0
   41    43    48    56  -0.01100 -1.0 2.0
   41    43    48    56   0.28050  1.0 3.0
   41    43    49    50   0.15000  1.0 3.0
   41    43    49    51   0.15000  1.0 3.0
   41    43    49    52   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    43    49   0.15000  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   43    41    44    45  -0.11600  1.0 1.0
   43    41    44    45  -0.09450 -1.0 2.0
   43    41    44    45   0.21250  1.0 3.0
   43    46    53    54   0.15000  1.0 3.0
   43    46    53    55   0.15000  1.0 3.0
   43    46    53    57   0.56750  1.0 1.0
   43    46    53    57  -0.07550 -1.0 2.0
   43    46    53    57   0.20000  1.0 3.0
   43    46    77    70   0.56750  1.0 1.0
   43    46    77    70  -0.07550 -1.0 2.0
   43    46    77    70   0.20000  1.0 3.0
   43    46    77    78   0.15000  1.0 3.0
   43    46    77    79   0.15000  1.0 3.0
   43    48   -56    33   0.06250  1.0 1.0
   43    48   -56    33  -0.01100 -1.0 2.0
   43    48   -56    33   0.28050  1.0 3.0
   43    48    56    60   0.06250  1.0 1.0
   43    48    56    60  -0.01100 -1.0 2.0
   43    48    56    60   0.28050  1.0 3.0
   43    48    56    64   0.06250  1.0 1.0
   43    48    56    64  -0.01100 -1.0 2.0
   43    48    56    64   0.28050  1.0 3.0
   46    43    48    56   0.06250  1.0 1.0
   46    43    48    56  -0.01100 -1.0 2.0
   46    43    48    56   0.28050  1.0 3.0
   46    43    49    50   0.15000  1.0 3.0
   46    43    49    51   0.15000  1.0 3.0
   46    43    49    52   0.15000  1.0 3.0
   46    53    57    58   0.15000  1.0 3.0
   46    53    57    59   0.15000  1.0 3.0
   46    53    57    68   0.56750  1.0 1.0
   46    53    57    68  -0.07550 -1.0 2.0
   46    53    57    68   0.20000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    57   0.15000  1.0 3.0
   47    46    77    70   0.15000  1.0 3.0
   47    46    77    78   0.15000  1.0 3.0
   47    46    77    79   0.15000  1.0 3.0
   53    46    77    70   0.56750  1.0 1.0
   53    46    77    70  -0.07550 -1.0 2.0
   53    46    77    70   0.20000  1.0 3.0
   53    46    77    78   0.15000  1.0 3.0
   53    46    77    79   0.15000  1.0 3.0
   53    57    68    69   0.74700  1.0 1.0
   53    57    68    69  -0.19600 -1.0 2.0
   53    57    68    69   0.19200  1.0 3.0
   53    57   -68    70   0.56750  1.0 1.0
   53    57   -68    70  -0.07550 -1.0 2.0
   53    57   -68    70   0.20000  1.0 3.0
   53    57    68    73   0.56750  1.0 1.0
   53    57    68    73  -0.07550 -1.0 2.0
   53    57    68    73   0.20000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    68   0.15000  1.0 3.0
   55    53    57    58   0.15000  1.0 3.0
   55    53    57    59   0.15000  1.0 3.0
   55    53    57    68   0.15000  1.0 3.0
   57    68    70    71   0.35600  1.0 1.0
   57    68    70    71  -0.14650 -1.0 2.0
   57    68    70    71   0.33350  1.0 3.0
   57    68    70    72   0.15000  1.0 3.0
   57    68    70    77   0.56750  1.0 1.0
   57    68    70    77  -0.07550 -1.0 2.0
   57    68    70    77   0.20000  1.0 3.0
   57    68    73    74   0.15000  1.0 3.0
   57    68    73    75   0.15000  1.0 3.0
   57    68    73    76   0.15000  1.0 3.0
   58    57    68    69   0.39750  1.0 3.0
   58    57    68    70   0.15000  1.0 3.0
   58    57    68    73   0.15000  1.0 3.0
   59    57    68    69   0.39750  1.0 3.0
   59    57    68    70   0.15000  1.0 3.0
   59    57    68    73   0.15000  1.0 3.0
   68    70   -77    46   0.56750  1.0 1.0
   68    70   -77    46  -0.07550 -1.0 2.0
   68    70   -77    46   0.20000  1.0 3.0
   68    70    77    78   0.15000  1.0 3.0
   68    70    77    79   0.15000  1.0 3.0
   69    68    70    71   0.56750  1.0 1.0
   69    68    70    71  -0.07550 -1.0 2.0
   69    68    70    71   0.20000  1.0 3.0
   69    68    70    72   0.39750  1.0 3.0
   69    68    70    77   0.74700  1.0 1.0
   69    68    70    77  -0.19600 -1.0 2.0
   69    68    70    77   0.19200  1.0 3.0
   69    68    73    74   0.39750  1.0 3.0
   69    68    73    75   0.39750  1.0 3.0
   69    68    73    76   0.39750  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    76   0.15000  1.0 3.0
   71    70    77    46   0.35600  1.0 1.0
   71    70    77    46  -0.14650 -1.0 2.0
   71    70    77    46   0.33350  1.0 3.0
   71    70    77    78   0.27000  1.0 3.0
   71    70    77    79   0.27000  1.0 3.0
   72    70    77    46   0.15000  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    79   0.15000  1.0 3.0
   77    46    53    54   0.15000  1.0 3.0
   77    46    53    55   0.15000  1.0 3.0
   77    46   -53    57   0.56750  1.0 1.0
   77    46   -53    57  -0.07550 -1.0 2.0
   77    46   -53    57   0.20000  1.0 3.0
   73    68    70    71   0.35600  1.0 1.0
   73    68    70    71  -0.14650 -1.0 2.0
   73    68    70    71   0.33350  1.0 3.0
   73    68    70    72   0.15000  1.0 3.0
   73    68    70    77   0.56750  1.0 1.0
   73    68    70    77  -0.07550 -1.0 2.0
   73    68    70    77   0.20000  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    53   0.62750  1.0 1.0
   48    43    46    53  -0.30950 -1.0 2.0
   48    43    46    53   0.27300  1.0 3.0
   48    43    46    77   0.62750  1.0 1.0
   48    43    46    77  -0.30950 -1.0 2.0
   48    43    46    77   0.27300  1.0 3.0
   48    43    49    50   0.23400  1.0 3.0
   48    43    49    51   0.23400  1.0 3.0
   48    43    49    52   0.23400  1.0 3.0
   48    56    60    61   0.23400  1.0 3.0
   48    56    60    62   0.23400  1.0 3.0
   48    56    60    63   0.23400  1.0 3.0
   48    56    64    65   0.23400  1.0 3.0
   48    56    64    66   0.23400  1.0 3.0
   48    56    64    67   0.23400  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33   -38    41   0.56750  1.0 1.0
   56    33   -38    41  -0.07550 -1.0 2.0
   56    33   -38    41   0.20000  1.0 3.0
   60    56    64    65   0.15000  1.0 3.0
   60    56    64    66   0.15000  1.0 3.0
   60    56    64    67   0.15000  1.0 3.0
   64    56    60    61   0.15000  1.0 3.0
   64    56    60    62   0.15000  1.0 3.0
   64    56    60    63   0.15000  1.0 3.0
   49    43    46    47   0.15000  1.0 3.0
   49    43    46    53   0.56750  1.0 1.0
   49    43    46    53  -0.07550 -1.0 2.0
   49    43    46    53   0.20000  1.0 3.0
   49    43    46    77   0.56750  1.0 1.0
   49    43    46    77  -0.07550 -1.0 2.0
   49    43    46    77   0.20000  1.0 3.0
   49    43    48    56   0.06250  1.0 1.0
   49    43    48    56  -0.01100 -1.0 2.0
   49    43    48    56   0.28050  1.0 3.0
   44    41    43    46   0.86500  1.0 1.0
   44    41    43    46  -0.17500 -1.0 2.0
   44    41    43    46   0.20800  1.0 3.0
   44    41    43    48   3.69350  1.0 1.0
   44    41    43    48  -1.82950 -1.0 2.0
   44    41    43    49   0.86500  1.0 1.0
   44    41    43    49  -0.17500 -1.0 2.0
   44    41    43    49   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
END
