* LIGAND DATABASE FILE (OPLS2005)
*
001      80    79    140    196     404
    1     0 S   NP   _N1_     1    29.27006    95.60054   -26.75938
    2     1 S   H    _HN1     2     1.02792   125.44379   -85.95003
    3     1 S   H    _H1_     3     1.02951    71.67927    13.91547
    4     1 S   H    _H2_     4     1.02828    35.90829  -156.07367
    5     1 S   CT   _CA1     5     1.50117   118.61390   117.66772
    6     5 S   HC   _HA1     6     1.09574   105.18820    97.94571
    7     5 S   CO3  _C1_     7     1.53772   112.47838   -22.27446
    8     7 S   O2Z  _O11     8     1.26369   115.01137   -42.68524
    9     7 S   O2Z  _O12     9     1.26242   114.93424   136.42894
   10     5 S   CT   _CB1    10     1.53063   107.40318  -144.10802
   11    10 S   HC   HB11    11     1.09839   109.31300   -49.97592
   12    10 S   HC   HB12    12     1.09814   110.45546    66.59274
   13    10 S   CT   _CG1    13     1.53016   112.66795  -170.97322
   14    13 S   HC   HG11    14     1.09577   110.65668   -66.44453
   15    13 S   HC   HG12    15     1.09666   109.78677    52.82679
   16    13 S   C    _CD1    16     1.51783   112.10376   173.23633
   17    16 S   O    _OE1    17     1.22747   123.19951     7.86422
   18    16 S   N    _N2_    18     1.38619   111.80240  -172.11086
   19    18 S   H    _HN2    19     1.01572   118.96118     1.38451
   20    18 S   CT1  _CA2    20     1.46127   123.34984   176.93139
   21    20 S   HC   _HA2    21     1.09709   109.49786     6.88419
   22    20 S   C    _C2_    22     1.53375   107.46251  -108.53766
   23    22 S   O    _O2_    23     1.22990   122.73056  -133.72993
   24    20 S   CT   _CB2    32     1.53120   111.94286   128.92396
   25    24 S   HC   HB21    33     1.09576   110.70273    55.14291
   26    24 S   HC   HB22    34     1.09389   109.48371   174.09269
   27    22 S   N    _N3_    24     1.38425   113.20459    52.36857
   28    27 S   H    _HN3    25     1.01605   119.69062    -3.19776
   29    24 S   S    _SG2    35     1.82783   111.33300   -65.60686
   30    27 S   CT   _CA3    26     1.45247   123.06771   177.33986
   31    30 S   HC   HA31    27     1.09554   107.76789   -56.29309
   32    30 S   HC   HA32    28     1.09542   107.74002    60.07181
   33    29 S   CT   _C15    36     1.83877    99.39502  -169.69928
   34    33 S   HC   _H3_    37     1.09553   107.18436   -42.53994
   35    30 S   CO3  _C3_    29     1.52914   114.00184  -178.47929
   36    35 S   O2Z  _O31    30     1.26371   116.01031   -10.46785
   37    35 S   O2Z  _O32    31     1.26411   114.47043   169.67198
   38    33 S   CM   _C14    38     1.50698   108.90252    77.39408
   39    38 S   HC   _H16    39     1.08862   117.41420    58.17535
   40    33 S   CM   _C16    62     1.51061   108.23882  -161.99989
   41    40 S   HC   _H17    63     1.08882   115.49823   -59.21316
   42    38 S   CM   _C13    40     1.34242   123.66711  -121.30703
   43    42 S   HC   _H15    41     1.08752   119.45952    -1.00073
   44    40 S   CMA  _C17    64     1.35345   125.57956   121.31659
   45    44 S   OM   _O33    65     1.25935   130.14474    -0.11014
   46    42 S   CT   _C12    42     1.50316   123.68216   178.80958
   47    46 S   HC   _H13    43     1.09680   107.83012   120.46071
   48    46 S   HC   _H14    44     1.09739   110.89586     4.01990
   49    44 S   NE   _N4_    66     1.38367   122.08507   179.81443
   50    49 S   H    _H18    67     1.01482   112.71522  -179.91607
   51    46 S   CT   _C11    45     1.53072   112.54532  -119.57225
   52    51 S   HC   _H11    46     1.09670   110.21954   -54.66854
   53    51 S   HC   _H12    47     1.09655   108.72166  -171.29008
   54    49 S   CT   _C18    68     1.44916   128.72956     0.30838
   55    54 S   HC   _H19    69     1.09680   109.46836    58.51148
   56    54 S   HC   _H20    70     1.09679   109.46277   -58.97457
   57    51 S   CZ   _C10    48     1.47122   112.35315    68.06816
   58    54 S   CT   _C19    71     1.53835   112.50112   179.76930
   59    58 S   HC   _H21    72     1.09824   106.79110  -180.00000
   60    57 S   CZ   _C9_    49     1.20074   179.32798  -130.33168
   61    58 S   CT   _C20    73     1.52961   112.27082   -62.81604
   62    61 S   HC   _H22    74     1.09466   111.94676    66.54318
   63    61 S   HC   _H23    75     1.09538   110.50453  -173.50496
   64    61 S   HC   _H24    76     1.09505   110.77590   -54.23347
   65    58 S   CT   _C21    77     1.52960   112.27161    62.82802
   66    65 S   HC   _H25    78     1.09466   111.94637   -66.52741
   67    65 S   HC   _H26    79     1.09538   110.50523   173.51889
   68    65 S   HC   _H27    80     1.09505   110.77486    54.24838
   69    60 S   CZ   _C8_    50     1.37211   179.44117    -0.50937
   70    69 S   CZ   _C7_    51     1.20069   179.44822   -12.23221
   71    70 S   CT   _C6_    52     1.46940   179.37006   -13.91986
   72    71 S   HC   _H9_    53     1.09599   109.46596    26.30591
   73    71 S   HC   _H10    54     1.09627   109.46469   -90.62379
   74    71 S   CT   _C5_    55     1.52682   111.23408   147.89948
   75    74 S   HC   _H7_    56     1.09694   110.06651    59.53969
   76    74 S   HC   _H8_    57     1.09554   110.11450   -57.83680
   77    74 S   CT   _C4_    58     1.52011   111.55453  -179.01404
   78    77 S   HC   _H4_    59     1.09455   111.01419    59.91025
   79    77 S   HC   _H5_    60     1.09463   110.99144   -60.61336
   80    77 S   HC   _H6_    61     1.09449   110.24782   179.63203
  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   8   5   4   3
  11   6   2   1   1  10   4   7   3   8   4   7   3   7   5   4
   8   4   5   3   2  12   5   4   3   9   8   3   7   3   2   1
   3   2   1   1   5   7   9   5   4   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    51    40    41    44  
   42    43    46    40  
   41    44    45    49    50    54    42  
   44    45    49  
   43    46    47    48    51    52    53    57  
   46    47    48    51  
   45    49    50    54    55    56    58  
   49    50    54  
   47    48    51    52    53    57    60  
   48    51    52    53    57  
   51    52    53    57  
   50    54    55    56    58    59    61    65  
   54    55    56    58  
   52    53    57    60    69  
   53    57    60  
   57    60  
   55    56    58    59    61    62    63    64    65    66    67    68  
   56    58    59    61    65  
   58    59    61    65  
   60    69    70  
   59    61    62    63    64    65    66    67    68  
   61    62    63    64    65    66    67    68  
   69    70    71  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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  -0.115000   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.115300   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   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   70   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   390.000  1.470
   57    60   985.000  1.221
   60    69   985.000  1.221
   69    70   985.000  1.221
   70    71   390.000  1.470
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    49   415.000  1.382
   49    50   434.000  1.010
   49    54   382.000  1.448
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    65   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    51    70.00000  112.02700
   46    42    43    35.00000  117.00000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    57    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    57    60    30.00000  179.48800
   53    51    52    33.00000  107.80000
   57    51    52    35.00000  108.50000
   57    51    53    35.00000  108.50000
   57    60    69    30.00000  179.78000
   60    69    70    30.00000  179.78000
   69    70    71    30.00000  179.48800
   70    71    72    35.00000  108.50000
   70    71    73    35.00000  108.50000
   70    71    74    58.35000  112.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    49    75.00000  114.40000
   44    40    41    40.00000  120.50800
   44    49    50    50.00000  121.48000
   44    49    54    50.00000  121.00000
   49    44    45   105.00000  113.92000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    58    80.00000  111.61500
   54    49    50    35.00000  112.50000
   54    58    59    37.50000  110.70000
   54    58    61    58.35000  112.70000
   54    58    65    58.35000  112.70000
   56    54    55    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    37.50000  110.70000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    68    37.50000  110.70000
   61    58    59    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    58    59    37.50000  110.70000
   65    58    61    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    49   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    51   0.09850  1.0 1.0
   38    42    46    51   0.15250 -1.0 2.0
   38    42    46    51  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    51    52   0.15000  1.0 3.0
   42    46    51    53   0.15000  1.0 3.0
   42    46    51    57   0.56750  1.0 1.0
   42    46    51    57  -0.07550 -1.0 2.0
   42    46    51    57   0.20000  1.0 3.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    48   0.33100  1.0 3.0
   43    42    46    51   0.00000  1.0 1.0
   46    51    57    60   0.00000  1.0 1.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    57   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    57   0.15000  1.0 3.0
   51    57    60    69   0.00000  1.0 1.0
   52    51    57    60   0.00000  1.0 1.0
   53    51    57    60   0.00000  1.0 1.0
   57    60    69    70   0.00000  1.0 1.0
   60    69    70    71   0.00000  1.0 1.0
   69    70    71    72   0.00000  1.0 1.0
   69    70    71    73   0.00000  1.0 1.0
   69    70    71    74   0.00000  1.0 1.0
   70    71    74    75   0.15000  1.0 3.0
   70    71    74    76   0.15000  1.0 3.0
   70    71    74    77  -0.74000  1.0 1.0
   70    71    74    77   0.24050 -1.0 2.0
   70    71    74    77   0.24650  1.0 3.0
   71    74    77    78   0.15000  1.0 3.0
   71    74    77    79   0.15000  1.0 3.0
   71    74    77    80   0.15000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    49    50   1.00000 -1.0 2.0
   40    44    49    54  -0.54700  1.0 1.0
   40    44    49    54   1.23000 -1.0 2.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    49   7.00000 -1.0 2.0
   44    49    54    55   0.00000  1.0 1.0
   44    49    54    56   0.00000  1.0 1.0
   44    49    54    58   0.25450  1.0 1.0
   44    49    54    58  -0.61700 -1.0 2.0
   44    49    54    58  -0.23550  1.0 3.0
   45    44    49    50   1.00000 -1.0 2.0
   45    44    49    54   1.00000 -1.0 2.0
   49    54    58    59   0.22950  1.0 3.0
   49    54    58    61   1.26750  1.0 1.0
   49    54    58    61  -0.00950 -1.0 2.0
   49    54    58    61   0.30600  1.0 3.0
   49    54    58    65   1.26750  1.0 1.0
   49    54    58    65  -0.00950 -1.0 2.0
   49    54    58    65   0.30600  1.0 3.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    54    58   0.00000  1.0 1.0
   54    58    61    62   0.15000  1.0 3.0
   54    58    61    63   0.15000  1.0 3.0
   54    58    61    64   0.15000  1.0 3.0
   54    58    65    66   0.15000  1.0 3.0
   54    58    65    67   0.15000  1.0 3.0
   54    58    65    68   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   55    54    58    65   0.15000  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    61   0.15000  1.0 3.0
   56    54    58    65   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   59    58    65    66   0.15000  1.0 3.0
   59    58    65    67   0.15000  1.0 3.0
   59    58    65    68   0.15000  1.0 3.0
   61    58    65    66   0.15000  1.0 3.0
   61    58    65    67   0.15000  1.0 3.0
   61    58    65    68   0.15000  1.0 3.0
   65    58    61    62   0.15000  1.0 3.0
   65    58    61    63   0.15000  1.0 3.0
   65    58    61    64   0.15000  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   49    45    44    40  15.00000 -1.0 2.0
   50    44    49    54   1.00000 -1.0 2.0
END
