* LIGAND DATABASE FILE (OPLS2005)
*
001      86    85    156    229     461
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02120   103.64768   -37.83038
    3     1 S   H    _H1_     3     1.02061    70.66552    67.49532
    4     1 S   H    _H2_     4     1.02113    42.70669  -140.72577
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   OS   _O35    36     1.66383    98.55320   180.00000
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CT   _C18    37     1.42631   113.89245    80.01841
   38    37 S   HC   _H5_    38     1.09111   106.69070   -42.67617
   39    37 S   CT   _C19    39     1.53197   109.27442  -159.98872
   40    39 S   HC   _H30    40     1.09685   111.50169   -44.03716
   41    39 S   HC   _H31    41     1.09583   111.01895  -164.85728
   42    37 S   CT   _C15    45     1.55155   110.13174    75.22313
   43    42 S   HC   _H4_    46     1.09648   106.66086   -57.46902
   44    39 S   CO3  _C20    42     1.53106   108.98556    76.03942
   45    44 S   O2Z  _O34    43     1.26360   115.11684   -61.73842
   46    44 S   O2Z  _O33    44     1.26315   114.99986   118.62605
   47    42 S   CT   _C16    47     1.55337   113.79592    57.62846
   48    47 S   HC   _H25    48     1.09754   108.26007    62.09171
   49    47 S   HC   _H26    49     1.09631   109.80297   -52.28193
   50    42 S   CT   _C14    54     1.55619   112.89433  -176.36180
   51    50 S   HC   _H23    55     1.09646   110.64234  -168.19084
   52    50 S   HC   _H24    56     1.10001   108.13013   -55.69311
   53    47 S   CT   _C17    50     1.52298   116.26003  -176.12900
   54    53 S   HC   _H27    51     1.09420   109.70367    58.10648
   55    53 S   HC   _H28    52     1.09295   111.58906   -60.40669
   56    53 S   HC   _H29    53     1.09373   111.88987   177.50943
   57    50 S   CT   _C12    57     1.55328   118.14544    64.50790
   58    57 S   CT   _C13    58     1.53818   111.21494   -72.14972
   59    58 S   HC   _H20    59     1.09662   110.98301   -51.22564
   60    58 S   HC   _H21    60     1.09426   112.42931    70.45437
   61    58 S   HC   _H22    61     1.09649   110.62943  -168.82488
   62    57 S   CT   _C11    62     1.54490   115.76075    52.83148
   63    62 S   HC   _H18    63     1.09936   108.41511   173.83426
   64    62 S   HC   _H19    64     1.09753   108.27330   -72.99609
   65    57 S   OH   _O36    85     1.43520   106.95974   172.78594
   66    65 S   HO   _H32    86     0.96757   106.00440    58.66294
   67    62 S   CT   _C8_    65     1.54931   117.43999    51.10570
   68    67 S   HC   _H3_    66     1.09460   108.16133   -53.71294
   69    67 S   CM   _C7_    67     1.51577   108.74638    62.91057
   70    69 S   HC   _H12    68     1.08734   117.30433    64.11628
   71    67 S   CT   _C9_    78     1.54406   115.70424  -172.28484
   72    71 S   HC   _H13    79     1.09896   108.78817  -178.28024
   73    71 S   HC   _H14    80     1.09587   109.49615   -63.80478
   74    69 S   CM   _C6_    69     1.34208   123.57739  -116.91932
   75    74 S   HC   _H11    70     1.08764   119.49352     0.80357
   76    71 S   CT   _C10    81     1.52315   115.92688    59.79721
   77    76 S   HC   _H15    82     1.09331   111.75540   -57.64384
   78    76 S   HC   _H16    83     1.09489   109.71727    61.54985
   79    76 S   HC   _H17    84     1.09377   111.78796  -179.48566
   80    74 S   CT   _C5_    71     1.49996   123.82781  -179.48414
   81    80 S   HC   _H9_    72     1.09669   111.07926   148.00684
   82    80 S   HC   _H10    73     1.09601   108.70654    30.61574
   83    80 S   CT   _C4_    74     1.52073   111.27649   -90.02614
   84    83 S   HC   _H6_    75     1.09480   111.08836    56.94639
   85    83 S   HC   _H7_    76     1.09544   111.25350   177.56876
   86    83 S   HC   _H8_    77     1.09430   110.20635   -62.74128
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  10   2   1   1  17   8   9   5   4  16   8   2   1   1  10   6
   5  14   5   4   3   2   1   1  13   9   4   3   2  13   6   5
   2   1  13   7  11   4   7   5   4   8   4   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    44    42    43    47    50  
   35    36  
   36  
    0  
   38    39    40    41    44    45    46    42    43    47    48    49    53    50    51    52    57  
   39    40    41    44    42    43    47    50  
   40    41    44    45    46    42    43    47    50  
   41    44    45    46    42  
   44    45    46    42  
   43    47    48    49    53    54    55    56    50    51    52    57    58    62    65    44  
   47    48    49    53    50    51    52    57  
   45    46  
   46  
    0  
   48    49    53    54    55    56    50    51    52    57  
   49    53    54    55    56    50  
   53    54    55    56    50  
   51    52    57    58    59    60    61    62    63    64    67    65    66    53  
   52    57    58    62    65  
   57    58    62    65  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    67    68    69    71    65    66  
   59    60    61    62    63    64    67    65    66  
   60    61    62    65  
   61    62    65  
   62    65  
   63    64    67    68    69    70    74    71    72    73    76    65    66  
   64    67    68    69    71    65  
   67    68    69    71    65  
   66    67  
    0  
   68    69    70    74    75    80    71    72    73    76    77    78    79  
   69    70    74    71    72    73    76  
   70    74    75    80    81    82    83    71    72    73    76  
   74    75    80    71  
   72    73    76    77    78    79    74  
   73    76    77    78    79  
   76    77    78    79  
   75    80    81    82    83    84    85    86  
   80    81    82    83  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   268.000  1.529
   37    42   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   656.000  1.250
   44    46   656.000  1.250
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   268.000  1.529
   57    62   268.000  1.529
   57    65   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   317.000  1.510
   67    71   268.000  1.529
   69    70   340.000  1.080
   69    74   549.000  1.340
   74    75   340.000  1.080
   74    80   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   65    66   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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    50.00000  109.50000
   33    37    42    50.00000  109.50000
   37    39    40    37.50000  110.70000
   37    39    41    37.50000  110.70000
   37    39    44    70.00000  109.69300
   37    42    43    37.50000  110.70000
   37    42    47    58.35000  112.70000
   37    42    50    58.35000  112.70000
   39    37    38    37.50000  110.70000
   39    44    45    70.00000  117.00000
   39    44    46    70.00000  117.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
   42    37    38    37.50000  110.70000
   42    37    39    58.35000  112.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    53    58.35000  112.70000
   42    50    51    37.50000  110.70000
   42    50    52    37.50000  110.70000
   42    50    57    58.35000  112.70000
   47    42    43    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    56    37.50000  110.70000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   50    42    43    37.50000  110.70000
   50    42    47    58.35000  112.70000
   50    57    58    58.35000  112.70000
   50    57    62    58.35000  112.70000
   50    57    65    50.00000  109.50000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    58    59    37.50000  110.70000
   57    58    60    37.50000  110.70000
   57    58    61    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    67    58.35000  112.70000
   57    65    66    55.00000  108.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    57    58    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    70.00000  112.02700
   62    67    71    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    69    70    35.00000  117.00000
   67    69    74    70.00000  124.00000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    76    58.35000  112.70000
   69    67    68    35.00000  109.50000
   69    74    75    35.00000  120.00000
   69    74    80    70.00000  124.00000
   74    69    70    35.00000  120.00000
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    70.00000  112.02700
   80    74    75    35.00000  117.00000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   71    67    68    37.50000  110.70000
   71    67    69    70.00000  112.02700
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    37.50000  110.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   65    57    58    50.00000  109.50000
   65    57    62    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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    42   0.37500  1.0 3.0
   33    37    39    40   0.23400  1.0 3.0
   33    37    39    41   0.23400  1.0 3.0
   33    37    39    44  -3.35100  1.0 1.0
   33    37    39    44  -0.37050 -1.0 2.0
   33    37    39    44   0.22400  1.0 3.0
   33    37    42    43   0.23400  1.0 3.0
   33    37    42    47   0.62750  1.0 1.0
   33    37    42    47  -0.30950 -1.0 2.0
   33    37    42    47   0.27300  1.0 3.0
   33    37    42    50   0.62750  1.0 1.0
   33    37    42    50  -0.30950 -1.0 2.0
   33    37    42    50   0.27300  1.0 3.0
   37    39    44    45   0.41150 -1.0 2.0
   37    39    44    46   0.41150 -1.0 2.0
   37    42    47    48   0.15000  1.0 3.0
   37    42    47    49   0.15000  1.0 3.0
   37    42    47    53   0.56750  1.0 1.0
   37    42    47    53  -0.07550 -1.0 2.0
   37    42    47    53   0.20000  1.0 3.0
   37    42    50    51   0.15000  1.0 3.0
   37    42    50    52   0.15000  1.0 3.0
   37    42    50    57   0.56750  1.0 1.0
   37    42    50    57  -0.07550 -1.0 2.0
   37    42    50    57   0.20000  1.0 3.0
   38    37    39    40   0.15000  1.0 3.0
   38    37    39    41   0.15000  1.0 3.0
   38    37    39    44  -0.11250  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    47   0.15000  1.0 3.0
   38    37    42    50   0.15000  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    47   0.56750  1.0 1.0
   39    37    42    47  -0.07550 -1.0 2.0
   39    37    42    47   0.20000  1.0 3.0
   39    37    42    50   0.56750  1.0 1.0
   39    37    42    50  -0.07550 -1.0 2.0
   39    37    42    50   0.20000  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    46   0.00000  1.0 1.0
   42    37    39    40   0.15000  1.0 3.0
   42    37    39    41   0.15000  1.0 3.0
   42    37    39    44  -1.63150  1.0 1.0
   42    37    39    44  -0.43550 -1.0 2.0
   42    37    39    44   0.24500  1.0 3.0
   42    47    53    54   0.15000  1.0 3.0
   42    47    53    55   0.15000  1.0 3.0
   42    47    53    56   0.15000  1.0 3.0
   42    50    57    58   0.56750  1.0 1.0
   42    50    57    58  -0.07550 -1.0 2.0
   42    50    57    58   0.20000  1.0 3.0
   42    50    57    62   0.56750  1.0 1.0
   42    50    57    62  -0.07550 -1.0 2.0
   42    50    57    62   0.20000  1.0 3.0
   42    50    57    65   0.86500  1.0 1.0
   42    50    57    65  -0.17500 -1.0 2.0
   42    50    57    65   0.20800  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    53   0.15000  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    57   0.15000  1.0 3.0
   47    42    50    51   0.15000  1.0 3.0
   47    42    50    52   0.15000  1.0 3.0
   47    42    50    57   0.56750  1.0 1.0
   47    42    50    57  -0.07550 -1.0 2.0
   47    42    50    57   0.20000  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    56   0.15000  1.0 3.0
   49    47    53    54   0.15000  1.0 3.0
   49    47    53    55   0.15000  1.0 3.0
   49    47    53    56   0.15000  1.0 3.0
   50    42    47    48   0.15000  1.0 3.0
   50    42    47    49   0.15000  1.0 3.0
   50    42    47    53   0.56750  1.0 1.0
   50    42    47    53  -0.07550 -1.0 2.0
   50    42    47    53   0.20000  1.0 3.0
   50    57    58    59   0.15000  1.0 3.0
   50    57    58    60   0.15000  1.0 3.0
   50    57    58    61   0.15000  1.0 3.0
   50    57    62    63   0.15000  1.0 3.0
   50    57    62    64   0.15000  1.0 3.0
   50    57    62    67   0.56750  1.0 1.0
   50    57    62    67  -0.07550 -1.0 2.0
   50    57    62    67   0.20000  1.0 3.0
   50    57    65    66  -0.11600  1.0 1.0
   50    57    65    66  -0.09450 -1.0 2.0
   50    57    65    66   0.21250  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    62   0.15000  1.0 3.0
   51    50    57    65   0.23400  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    62   0.15000  1.0 3.0
   52    50    57    65   0.23400  1.0 3.0
   57    62    67    68   0.15000  1.0 3.0
   57    62    67    69   0.34400  1.0 1.0
   57    62    67    69   0.09450 -1.0 2.0
   57    62    67    69   0.11100  1.0 3.0
   57    62    67    71   0.56750  1.0 1.0
   57    62    67    71  -0.07550 -1.0 2.0
   57    62    67    71   0.20000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    67   0.56750  1.0 1.0
   58    57    62    67  -0.07550 -1.0 2.0
   58    57    62    67   0.20000  1.0 3.0
   58    57    65    66  -0.11600  1.0 1.0
   58    57    65    66  -0.09450 -1.0 2.0
   58    57    65    66   0.21250  1.0 3.0
   62    57    58    59   0.15000  1.0 3.0
   62    57    58    60   0.15000  1.0 3.0
   62    57    58    61   0.15000  1.0 3.0
   62    57    65    66  -0.11600  1.0 1.0
   62    57    65    66  -0.09450 -1.0 2.0
   62    57    65    66   0.21250  1.0 3.0
   62    67    69    70   0.00000  1.0 1.0
   62    67    69    74   0.09850  1.0 1.0
   62    67    69    74   0.15250 -1.0 2.0
   62    67    69    74  -0.50650  1.0 3.0
   62    67    71    72   0.15000  1.0 3.0
   62    67    71    73   0.15000  1.0 3.0
   62    67    71    76   0.56750  1.0 1.0
   62    67    71    76  -0.07550 -1.0 2.0
   62    67    71    76   0.20000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    71   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    71   0.15000  1.0 3.0
   67    69    74    75   7.00000 -1.0 2.0
   67    69    74    80   7.00000 -1.0 2.0
   67    71    76    77   0.15000  1.0 3.0
   67    71    76    78   0.15000  1.0 3.0
   67    71    76    79   0.15000  1.0 3.0
   68    67    69    70   0.33100  1.0 3.0
   68    67    69    74   0.00000  1.0 1.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    76   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    73   0.15000  1.0 3.0
   69    67    71    76   0.34400  1.0 1.0
   69    67    71    76   0.09450 -1.0 2.0
   69    67    71    76   0.11100  1.0 3.0
   69    74    80    81   0.00000  1.0 1.0
   69    74    80    82   0.00000  1.0 1.0
   69    74    80    83   0.09850  1.0 1.0
   69    74    80    83   0.15250 -1.0 2.0
   69    74    80    83  -0.50650  1.0 3.0
   70    69    74    75   7.00000 -1.0 2.0
   70    69    74    80   7.00000 -1.0 2.0
   74    80    83    84   0.15000  1.0 3.0
   74    80    83    85   0.15000  1.0 3.0
   74    80    83    86   0.15000  1.0 3.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    82   0.33100  1.0 3.0
   75    74    80    83   0.00000  1.0 1.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   71    67    69    70   0.00000  1.0 1.0
   71    67    69    74   0.09850  1.0 1.0
   71    67    69    74   0.15250 -1.0 2.0
   71    67    69    74  -0.50650  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.15000  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    79   0.15000  1.0 3.0
   65    57    58    59   0.23400  1.0 3.0
   65    57    58    60   0.23400  1.0 3.0
   65    57    58    61   0.23400  1.0 3.0
   65    57    62    63   0.23400  1.0 3.0
   65    57    62    64   0.23400  1.0 3.0
   65    57    62    67   0.86500  1.0 1.0
   65    57    62    67  -0.17500 -1.0 2.0
   65    57    62    67   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
   67    70    69    74  15.00000 -1.0 2.0
   80    75    74    69  15.00000 -1.0 2.0
END
