* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    146    230     438
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02027   103.89001   -36.83189
    3     1 S   H    _H1_     3     1.02118    69.99603    68.33692
    4     1 S   H    _H2_     4     1.02098    43.21177  -139.42124
    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   _C18    36     1.85625    97.08055   159.97794
   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   _C5_    37     1.51937   105.84045    40.00036
   38    37 S   HC   _H23    38     1.09053   115.57800    63.69206
   39    33 S   CT   _C16    68     1.53899   106.15468   -83.25485
   40    39 S   HC   _H37    69     1.09493   111.64868   -63.10366
   41    39 S   HC   _H38    70     1.09674   112.04355   177.02421
   42    39 S   HC   _H39    71     1.09635   111.54464    56.30362
   43    33 S   CT   _C17    72     1.54816   106.85303   158.31027
   44    43 S   HC   _H40    73     1.09808   110.37010   -54.96963
   45    43 S   HC   _H41    74     1.09827   109.50563    64.04583
   46    37 S   CM   _C4_    39     1.34248   127.09545  -117.10734
   47    46 S   HC   _H22    40     1.08542   120.49870     0.28804
   48    43 S   C    _C6_    75     1.51945   115.25851  -175.50386
   49    48 S   O    _O16    76     1.22279   126.14936     2.67606
   50    46 S   CT   _C11    41     1.49823   123.66986  -179.51584
   51    48 S   OH   _O18    77     1.35990   111.18365  -178.13460
   52    51 S   HO   _H42    78     0.98114   115.08549  -179.24619
   53    50 S   CT   _C12    42     1.54312   115.74510  -150.00897
   54    50 S   OH   _O20    66     1.43556   104.91376   -28.19202
   55    54 S   HO   _H44    67     0.96676   105.96141   -60.00256
   56    53 S   CT   _C7_    43     1.55289   110.34100   -55.52640
   57    56 S   HC   _H24    44     1.09849   110.06581  -179.65395
   58    56 S   HC   _H25    45     1.09772   110.35767    65.29428
   59    53 S   CT   _C9_    53     1.53796    99.84770  -171.25495
   60    59 S   HC   _H28    54     1.09417   113.20862   153.43704
   61    59 S   HC   _H29    55     1.09551   112.76240   -84.12814
   62    53 S   CT   _C14    62     1.52936   114.80496    69.33952
   63    62 S   HC   _H31    63     1.08788   109.68308    54.96976
   64    62 S   HC   _H32    64     1.08772   109.74710   -65.03901
   65    62 S   HC   _H33    65     1.08831   109.68801   174.90330
   66    56 S   CT   _C10    46     1.53399   113.31098   -58.40560
   67    66 S   HC   _H30    47     1.09654   108.65015   -81.64649
   68    66 S   CT   _C8_    48     1.53219   112.95873    39.50936
   69    68 S   HC   _H26    49     1.09594   110.96037    85.96861
   70    68 S   HC   _H27    50     1.09823   107.09580  -159.93882
   71    66 S   OH   _O19    60     1.42412   109.11018   162.28034
   72    71 S   HO   _H43    61     0.96993   106.64766    59.97017
   73    50 S   CT   _C13    51     1.54520   117.34368    94.35469
   74    73 S   OS   _O17    52     1.45221   104.17443   167.96478
   75    73 S   CT   _C15    56     1.52640   114.82310   -73.16414
   76    75 S   HC   _H34    57     1.08958   109.82781   -53.35700
   77    75 S   HC   _H35    58     1.08932   109.89320  -173.28461
   78    75 S   HC   _H36    59     1.08867   109.89743    66.63422
  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  15   5   8   3   2   1   7   4   3  12   4   3
   2  23   1   1  19   8   1  18   7   6  11   4   3   6   2   1
   1   9   6  10   5   4   2   1   5   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    50    39    40    41    42    43    44    45    48    49    51  
   35    36  
   36  
    0  
   38    46    47    50    53    73    54    39    40    41    42    43    44    45    48  
   46    47    50    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    51    52    46  
   45    48    49    51  
   48    49    51  
   47    50    53    56    68    73    74    59    75    62    54    55  
   50    53    73    54  
   49    51    52  
   51    52  
   53    56    57    58    66    68    69    70    73    74    59    60    61    75    76    77    78    62    63    64    65    54    55  
   52  
    0  
   56    57    58    66    67    68    73    74    59    60    61    75    71    62    63    64    65    54    55  
   55    56    59    62    68    73    74    75  
   73  
   57    58    66    67    68    69    70    73    74    59    60    61    71    72    62    63    64    65  
   58    66    67    68    59    71    62  
   66    67    68    59    71    62  
   60    61    75    62    63    64    65    66    68    73    74  
   61    62    73    74  
   62    73    74  
   63    64    65    66    73    74  
   64    65  
   65  
    0  
   67    68    69    70    73    74    75    71    72  
   68    69    70    73    71    72  
   69    70    73    74    75    76    77    78    71    72  
   70    73    74    75    71  
   73    74    75    71  
   72    73  
    0  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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  -0.115000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    50   317.000  1.510
   50    53   268.000  1.529
   50    73   268.000  1.529
   50    54   320.000  1.410
   53    56   268.000  1.529
   53    59   268.000  1.529
   53    62   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    71   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   320.000  1.410
   73    75   268.000  1.529
   74    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   71    72   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   54    55   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    51   450.000  1.364
   51    52   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    63.00000  111.10000
   37    46    47    35.00000  120.00000
   37    46    50    70.00000  124.00000
   46    37    38    35.00000  120.00000
   46    50    53    70.00000  112.02700
   46    50    73    70.00000  112.02700
   46    50    54    90.00000  110.39200
   50    46    47    35.00000  117.00000
   50    53    56    58.35000  112.70000
   50    53    59    58.35000  112.70000
   50    53    62    58.35000  112.70000
   50    73    68    58.35000  112.70000
   50    73    74    50.00000  109.50000
   50    73    75    58.35000  112.70000
   50    54    55    55.00000  108.50000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    66    58.35000  112.70000
   53    59    74    50.00000  109.50000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    65    37.50000  110.70000
   56    66    67    37.50000  110.70000
   56    66    68    58.35000  112.70000
   56    66    71    50.00000  109.50000
   58    56    57    33.00000  107.80000
   66    56    57    37.50000  110.70000
   66    56    58    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    73    58.35000  112.70000
   66    71    72    55.00000  108.50000
   68    66    67    37.50000  110.70000
   68    73    74    50.00000  109.50000
   68    73    75    58.35000  112.70000
   70    68    69    33.00000  107.80000
   73    50    53    58.35000  112.70000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    74    59    60.00000  109.50000
   73    75    76    37.50000  110.70000
   73    75    77    37.50000  110.70000
   73    75    78    37.50000  110.70000
   74    59    60    35.00000  109.50000
   74    59    61    35.00000  109.50000
   59    53    56    58.35000  112.70000
   61    59    60    33.00000  107.80000
   75    73    74    50.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    50.00000  109.50000
   62    53    56    58.35000  112.70000
   62    53    59    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   54    50    53    50.00000  109.50000
   54    50    73    50.00000  109.50000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    80.00000  120.40000
   43    48    51    70.00000  108.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    51    52    35.00000  113.00000
   51    48    49   100.00000  123.32000
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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    50   7.00000 -1.0 2.0
   33    43    48    49   0.30150 -1.0 2.0
   33    43    48    51   0.50000  1.0 1.0
   33    43    48    51   0.27300 -1.0 2.0
   33    43    48    51   0.22500  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    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    50    53   0.09850  1.0 1.0
   37    46    50    53   0.15250 -1.0 2.0
   37    46    50    53  -0.50650  1.0 3.0
   37    46    50    73   0.09850  1.0 1.0
   37    46    50    73   0.15250 -1.0 2.0
   37    46    50    73  -0.50650  1.0 3.0
   37    46    50    54   0.67800  1.0 1.0
   37    46    50    54   0.47050 -1.0 2.0
   37    46    50    54  -0.62500  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    50   7.00000 -1.0 2.0
   46    50    53    56   0.34400  1.0 1.0
   46    50    53    56   0.09450 -1.0 2.0
   46    50    53    56   0.11100  1.0 3.0
   46    50    53    59   0.34400  1.0 1.0
   46    50    53    59   0.09450 -1.0 2.0
   46    50    53    59   0.11100  1.0 3.0
   46    50    53    62   0.34400  1.0 1.0
   46    50    53    62   0.09450 -1.0 2.0
   46    50    53    62   0.11100  1.0 3.0
   46    50    73    68   0.34400  1.0 1.0
   46    50    73    68   0.09450 -1.0 2.0
   46    50    73    68   0.11100  1.0 3.0
   46    50    73    74   0.61850  1.0 1.0
   46    50    73    74  -0.22750 -1.0 2.0
   46    50    73    74   0.15300  1.0 3.0
   46    50    73    75   0.34400  1.0 1.0
   46    50    73    75   0.09450 -1.0 2.0
   46    50    73    75   0.11100  1.0 3.0
   46    50    54    55  -0.07800  1.0 1.0
   46    50    54    55  -0.21500 -1.0 2.0
   46    50    54    55  -0.03150  1.0 3.0
   47    46    50    53   0.00000  1.0 1.0
   47    46    50    73   0.00000  1.0 1.0
   47    46    50    54   0.00000  1.0 1.0
   50    53    56    57   0.15000  1.0 3.0
   50    53    56    58   0.15000  1.0 3.0
   50    53    56    66   0.56750  1.0 1.0
   50    53    56    66  -0.07550 -1.0 2.0
   50    53    56    66   0.20000  1.0 3.0
   50    53   -59    74   0.62750  1.0 1.0
   50    53   -59    74  -0.30950 -1.0 2.0
   50    53   -59    74   0.27300  1.0 3.0
   50    53    59    60   0.15000  1.0 3.0
   50    53    59    61   0.15000  1.0 3.0
   50    53    62    63   0.15000  1.0 3.0
   50    53    62    64   0.15000  1.0 3.0
   50    53    62    65   0.15000  1.0 3.0
   50    73   -74    59   0.06250  1.0 1.0
   50    73   -74    59  -0.01100 -1.0 2.0
   50    73   -74    59   0.28050  1.0 3.0
   50    73    75    76   0.15000  1.0 3.0
   50    73    75    77   0.15000  1.0 3.0
   50    73    75    78   0.15000  1.0 3.0
   53    50    73    68   0.56750  1.0 1.0
   53    50    73    68  -0.07550 -1.0 2.0
   53    50    73    68   0.20000  1.0 3.0
   53    50   -73    74   0.62750  1.0 1.0
   53    50   -73    74  -0.30950 -1.0 2.0
   53    50   -73    74   0.27300  1.0 3.0
   53    50    73    75   0.56750  1.0 1.0
   53    50    73    75  -0.07550 -1.0 2.0
   53    50    73    75   0.20000  1.0 3.0
   53    50    54    55  -0.11600  1.0 1.0
   53    50    54    55  -0.09450 -1.0 2.0
   53    50    54    55   0.21250  1.0 3.0
   53    56    66    67   0.15000  1.0 3.0
   53    56   -66    68   0.56750  1.0 1.0
   53    56   -66    68  -0.07550 -1.0 2.0
   53    56   -66    68   0.20000  1.0 3.0
   53    56    66    71   0.86500  1.0 1.0
   53    56    66    71  -0.17500 -1.0 2.0
   53    56    66    71   0.20800  1.0 3.0
   56    53    59    74   0.62750  1.0 1.0
   56    53    59    74  -0.30950 -1.0 2.0
   56    53    59    74   0.27300  1.0 3.0
   56    53    59    60   0.15000  1.0 3.0
   56    53    59    61   0.15000  1.0 3.0
   56    53    62    63   0.15000  1.0 3.0
   56    53    62    64   0.15000  1.0 3.0
   56    53    62    65   0.15000  1.0 3.0
   56    66    68    69   0.15000  1.0 3.0
   56    66    68    70   0.15000  1.0 3.0
   56    66    68    73   0.56750  1.0 1.0
   56    66    68    73  -0.07550 -1.0 2.0
   56    66    68    73   0.20000  1.0 3.0
   56    66    71    72  -0.11600  1.0 1.0
   56    66    71    72  -0.09450 -1.0 2.0
   56    66    71    72   0.21250  1.0 3.0
   57    56    66    67   0.15000  1.0 3.0
   57    56    66    68   0.15000  1.0 3.0
   57    56    66    71   0.23400  1.0 3.0
   58    56    66    67   0.15000  1.0 3.0
   58    56    66    68   0.15000  1.0 3.0
   58    56    66    71   0.23400  1.0 3.0
   66    68   -73    50   0.56750  1.0 1.0
   66    68   -73    50  -0.07550 -1.0 2.0
   66    68   -73    50   0.20000  1.0 3.0
   66    68    73    74   0.62750  1.0 1.0
   66    68    73    74  -0.30950 -1.0 2.0
   66    68    73    74   0.27300  1.0 3.0
   66    68    73    75   0.56750  1.0 1.0
   66    68    73    75  -0.07550 -1.0 2.0
   66    68    73    75   0.20000  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    73   0.15000  1.0 3.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72  -0.11600  1.0 1.0
   68    66    71    72  -0.09450 -1.0 2.0
   68    66    71    72   0.21250  1.0 3.0
   68    73    74    59   0.06250  1.0 1.0
   68    73    74    59  -0.01100 -1.0 2.0
   68    73    74    59   0.28050  1.0 3.0
   68    73    75    76   0.15000  1.0 3.0
   68    73    75    77   0.15000  1.0 3.0
   68    73    75    78   0.15000  1.0 3.0
   69    68    73    50   0.15000  1.0 3.0
   69    68    73    74   0.23400  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   70    68    73    50   0.15000  1.0 3.0
   70    68    73    74   0.23400  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   73    50   -53    56   0.56750  1.0 1.0
   73    50   -53    56  -0.07550 -1.0 2.0
   73    50   -53    56   0.20000  1.0 3.0
   73    50   -53    59   0.56750  1.0 1.0
   73    50   -53    59  -0.07550 -1.0 2.0
   73    50   -53    59   0.20000  1.0 3.0
   73    50    53    62   0.56750  1.0 1.0
   73    50    53    62  -0.07550 -1.0 2.0
   73    50    53    62   0.20000  1.0 3.0
   73    50    54    55  -0.11600  1.0 1.0
   73    50    54    55  -0.09450 -1.0 2.0
   73    50    54    55   0.21250  1.0 3.0
   73    74   -59    53   0.06250  1.0 1.0
   73    74   -59    53  -0.01100 -1.0 2.0
   73    74   -59    53   0.28050  1.0 3.0
   73    74    59    60   0.37050  1.0 3.0
   73    74    59    61   0.37050  1.0 3.0
   74    73    75    76   0.23400  1.0 3.0
   74    73    75    77   0.23400  1.0 3.0
   74    73    75    78   0.23400  1.0 3.0
   59    53    56    57   0.15000  1.0 3.0
   59    53    56    58   0.15000  1.0 3.0
   59    53    56    66   0.56750  1.0 1.0
   59    53    56    66  -0.07550 -1.0 2.0
   59    53    56    66   0.20000  1.0 3.0
   59    53    62    63   0.15000  1.0 3.0
   59    53    62    64   0.15000  1.0 3.0
   59    53    62    65   0.15000  1.0 3.0
   75    73    74    59   0.06250  1.0 1.0
   75    73    74    59  -0.01100 -1.0 2.0
   75    73    74    59   0.28050  1.0 3.0
   71    66    68    69   0.23400  1.0 3.0
   71    66    68    70   0.23400  1.0 3.0
   71    66    68    73   0.86500  1.0 1.0
   71    66    68    73  -0.17500 -1.0 2.0
   71    66    68    73   0.20800  1.0 3.0
   62    53    56    57   0.15000  1.0 3.0
   62    53    56    58   0.15000  1.0 3.0
   62    53    56    66   0.56750  1.0 1.0
   62    53    56    66  -0.07550 -1.0 2.0
   62    53    56    66   0.20000  1.0 3.0
   62    53    59    74   0.62750  1.0 1.0
   62    53    59    74  -0.30950 -1.0 2.0
   62    53    59    74   0.27300  1.0 3.0
   62    53    59    60   0.15000  1.0 3.0
   62    53    59    61   0.15000  1.0 3.0
   54    50    53    56   0.86500  1.0 1.0
   54    50    53    56  -0.17500 -1.0 2.0
   54    50    53    56   0.20800  1.0 3.0
   54    50    53    59   0.86500  1.0 1.0
   54    50    53    59  -0.17500 -1.0 2.0
   54    50    53    59   0.20800  1.0 3.0
   54    50    53    62   0.86500  1.0 1.0
   54    50    53    62  -0.17500 -1.0 2.0
   54    50    53    62   0.20800  1.0 3.0
   54    50    73    68   0.86500  1.0 1.0
   54    50    73    68  -0.17500 -1.0 2.0
   54    50    73    68   0.20800  1.0 3.0
   54    50    73    74   3.69350  1.0 1.0
   54    50    73    74  -1.82950 -1.0 2.0
   54    50    73    75   0.86500  1.0 1.0
   54    50    73    75  -0.17500 -1.0 2.0
   54    50    73    75   0.20800  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    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -0.95700  1.0 1.0
   39    33    43    48  -0.18200 -1.0 2.0
   39    33    43    48   0.29450  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   43    48    51    52   1.50000  1.0 1.0
   43    48    51    52   2.45000 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    51   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    51   0.00000  1.0 1.0
   49    48    51    52   0.92200  1.0 1.0
   49    48    51    52   3.74100 -1.0 2.0
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  15.00000 -1.0 2.0
   50    47    46    37  15.00000 -1.0 2.0
   43    51    48    49  10.50000 -1.0 2.0
END
