* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    169    250     498
    1     0 S   NP   _N1_     1    29.61003    99.38780   -17.15433
    2     1 S   H    _HN1     2     1.02785    76.35690  -108.52544
    3     1 S   H    _H1_     3     1.02955    63.20534    10.43072
    4     1 S   H    _H2_     4     1.02843    67.23741   135.14154
    5     1 S   CT   _CA1     5     1.50129   171.13397    56.42417
    6     5 S   HC   _HA1     6     1.09583   105.21271   134.62188
    7     5 S   CO3  _C1_     7     1.53743   112.15480    14.54376
    8     7 S   O2Z  _O11     8     1.26339   115.06279   -49.81859
    9     7 S   O2Z  _O12     9     1.26222   114.87351   129.11540
   10     5 S   CT   _CB1    10     1.53067   107.39023  -107.68672
   11    10 S   HC   HB11    11     1.09831   109.23879   -51.47643
   12    10 S   HC   HB12    12     1.09801   110.49595    64.97699
   13    10 S   CT   _CG1    13     1.53025   112.71450  -172.53108
   14    13 S   HC   HG11    14     1.09499   110.52152   -64.44313
   15    13 S   HC   HG12    15     1.09651   109.95507    54.72875
   16    13 S   C    _CD1    16     1.51824   112.15853   175.02941
   17    16 S   O    _OE1    17     1.22757   123.17206     0.27268
   18    16 S   N    _N2_    18     1.38547   111.84025  -179.67494
   19    18 S   H    _HN2    19     1.01624   118.98419     4.33422
   20    18 S   CT1  _CA2    20     1.45680   122.90557   175.37162
   21    20 S   HC   _HA2    21     1.09703   109.27414    14.07836
   22    20 S   C    _C2_    22     1.52945   106.37190  -102.48964
   23    22 S   O    _O2_    23     1.22985   122.97477   -27.84578
   24    20 S   CT   _CB2    32     1.53126   112.73579   137.66582
   25    24 S   HC   HB21    33     1.09388   111.29435    51.77464
   26    24 S   HC   HB22    34     1.09582   109.66153   169.15647
   27    22 S   N    _N3_    24     1.38478   112.63432   154.89144
   28    27 S   H    _HN3    25     1.01655   120.39740    -2.11711
   29    24 S   S    _SG2    35     1.82874   112.26591   -73.29807
   30    27 S   CT   _CA3    26     1.45363   122.46977   178.58778
   31    30 S   HC   HA31    27     1.09566   107.79699   -56.14437
   32    30 S   HC   HA32    28     1.09563   107.62375    60.19045
   33    29 S   CT   _C6_    36     1.86123   101.15875    94.93522
   34    33 S   HC   _H4_    37     1.09449   104.07951   -39.20763
   35    30 S   CO3  _C3_    29     1.52888   114.32169  -178.03258
   36    35 S   O2Z  _O31    30     1.26337   116.05612     0.15826
   37    35 S   O2Z  _O32    31     1.26437   114.41457  -179.86878
   38    33 S   CT   _C7_    38     1.55316   110.74360  -151.44738
   39    38 S   HC   _H5_    39     1.09407   108.63168  -177.21006
   40    33 S   CT   _C5_    71     1.57885   112.13364    74.59088
   41    40 S   HC   _H3_    72     1.09913   103.29274   -65.15049
   42    38 S   CO4  _C8_    40     1.52739   115.82576   -57.17665
   43    42 S   O    _O33    41     1.22324   125.89504    92.29508
   44    40 S   CT   _C4_    73     1.53565   115.02053    45.92348
   45    44 S   HC   _H7_    74     1.08580   111.93279    57.60015
   46    44 S   HC   _H8_    75     1.09435   111.64946   -63.00521
   47    44 S   HC   _H9_    76     1.09365   111.80241   178.98048
   48    38 S   CM   _C23    88     1.51850   112.37693    66.48917
   49    48 S   HC   _H28    89     1.08787   118.22873   -63.77603
   50    42 S   OS   _O34    42     1.35981   108.76461   -89.04395
   51    48 S   CM   _C24    90     1.33888   123.91369   116.76732
   52    51 S   HC   _H29    91     1.08489   120.48870   179.80517
   53    51 S   HC   _H30    92     1.08474   121.85969    -0.54608
   54    50 S   CT   _C9_    43     1.44380   119.11856  -173.86119
   55    54 S   HC   _H6_    44     1.09696   110.05933    43.04457
   56    54 S   CO4  _C15    45     1.51719   100.16479   156.80692
   57    56 S   O    _O35    46     1.23042   121.88969   -93.27814
   58    54 S   CT   _C10    57     1.53264   110.85711   -79.76666
   59    58 S   HC   _H10    58     1.09804   107.69920    58.97758
   60    58 S   HC   _H11    59     1.09574   111.83497   -54.52386
   61    56 S   CM   _C14    47     1.48383   118.37488    82.53506
   62    61 S   CM   _C13    48     1.34226   116.58187    82.11795
   63    62 S   HC   _H16    49     1.08834   118.60724  -179.60933
   64    61 S   CT   _C16    64     1.49782   118.16491  -100.98961
   65    64 S   HC   _H17    65     1.09603   110.42022  -169.00073
   66    64 S   HC   _H18    66     1.09601   110.26590   -51.95143
   67    62 S   CT   _C12    50     1.50541   125.72857     3.13394
   68    67 S   HC   _H14    51     1.09752   112.33318    32.99205
   69    67 S   HC   _H15    52     1.09932   104.92145   146.05145
   70    64 S   OS   _O36    67     1.44286   111.36850    73.26772
   71    67 S   NT   _N4_    53     1.46829   112.94398   -94.20523
   72    70 S   CO4  _C17    68     1.36645   117.91896  -114.42311
   73    72 S   O    _O37    69     1.22649   124.30960     8.82214
   74    71 S   CT   _C11    54     1.47777   112.98463    84.97033
   75    74 S   HC   _H12    55     1.09868   107.29999   173.54697
   76    74 S   HC   _H13    56     1.09784   111.28203    57.89105
   77    71 S   CT   _C22    60     1.46866   109.63679  -153.15351
   78    77 S   HC   _H25    61     1.09588   110.76600   177.43914
   79    77 S   HC   _H26    62     1.09594   110.65591    59.95164
   80    77 S   HC   _H27    63     1.09611   112.05222   -61.27638
   81    72 S   CT   _C18    70     1.54354   111.66548  -168.04541
   82    81 S   CT   _C19    77     1.54361   106.35200    60.95786
   83    82 S   HC   _H19    78     1.09421   111.85307   179.56479
   84    82 S   HC   _H20    79     1.09681   110.55024    60.93648
   85    82 S   HC   _H21    80     1.09418   112.66184   -59.37456
   86    81 S   OS   _O38    81     1.46440   101.95042   174.06363
   87    86 S   CO4  _C20    82     1.36019   122.71821  -173.60653
   88    87 S   O    _O39    83     1.22229   126.94215    -2.09312
   89    87 S   CT   _C21    84     1.49799   109.21888   177.52995
   90    89 S   HC   _H22    85     1.09236   109.74026   -73.74343
   91    89 S   HC   _H23    86     1.09368   109.36113   166.34423
   92    89 S   HC   _H24    87     1.09319   109.83717    47.87568
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  14   7  17   8   9   3   7   3   2   1   5
   3   9   2   1   1  13   7  13   4   9   5   4  11  11   5   7
   3   2  10   4   3   5   7   8   3   6   2   1   3   2   1   1
   8   5   3   2   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    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    81    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    72    81    40    41    44    45    46    47    82    86    48    49    51  
   38    39    42    81    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    50    54    81    40    41    44    48    49    51    52    53  
   42    43    50    40    48    49    51  
   41    44    45    46    47    82    83    84    85    86    87    48    42    70    72    73    81  
   44    45    46    47    82    86    72    81  
   43    50    54    55    56    58    48    49    51  
   50    54    48  
   45    46    47    82    86    72    81  
   46    47    81  
   47    81  
   81  
   49    51    52    53    50  
   51    52    53  
   54    55    56    57    61    74    58    59    60  
   52    53  
   53  
    0  
   55    56    57    61    62    71    74    75    76    58    59    60    64  
   56    57    61    74    58    59    60  
   57    61    62    63    67    74    58    59    60    64    65    66    70  
   61    62    58    64  
   59    60    77    61    67    71    74    75    76  
   60    71    74    75    76  
   71    74    75    76  
   62    63    67    68    69    71    64    65    66    70    72  
   63    67    68    69    71    74    77    64    65    66    70  
   67    68    69    71    64  
   65    66    70    72    73    81    67  
   66    70    72  
   70    72  
   68    69    71    74    75    76    77    78    79    80  
   69    71    74    77  
   71    74    77  
   72    73    81    82    86  
   74    75    76    77    78    79    80  
   73    81    82    83    84    85    86    87  
   81    82    86  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86  
   85    86  
   86  
   87    88    89    90    91    92  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    48   317.000  1.510
   42    43   570.000  1.229
   42    50   214.000  1.327
   50    54   320.000  1.410
   54    55   340.000  1.090
   54    56   317.000  1.522
   54    58   268.000  1.529
   56    57   570.000  1.229
   56    61   320.000  1.462
   61    62   549.000  1.340
   61    64   317.000  1.510
   62    63   340.000  1.080
   62    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   382.000  1.448
   71    74   382.000  1.448
   71    77   382.000  1.448
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   320.000  1.410
   70    72   214.000  1.327
   72    73   570.000  1.229
   72    81   317.000  1.522
   81    40   268.000  1.529
   81    82   268.000  1.529
   81    86   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   214.000  1.327
   87    88   570.000  1.229
   87    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   48    49   340.000  1.080
   48    51   549.000  1.340
   51    52   340.000  1.080
   51    53   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    48    70.00000  112.02700
   33    40    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    50    81.00000  111.40000
   38    48    49    35.00000  117.00000
   38    48    51    70.00000  124.00000
   42    38    39    35.00000  109.50000
   42    50    54    83.00000  116.90000
   50    42    43    83.00000  123.40000
   50    54    55    35.00000  109.50000
   50    54    56    90.00000  108.74100
   50    54    58    50.00000  109.50000
   54    56    57    80.00000  120.40000
   54    56    61    65.00000  118.62400
   54    58    74    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   56    54    55    35.00000  109.50000
   56    61    62    65.00000  118.96000
   56    61    64    65.00000  116.34900
   61    56    57    80.00000  123.72100
   61    62    63    35.00000  120.00000
   61    62    67    70.00000  124.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    70    85.00000  110.90400
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    71    75.00000  110.70900
   67    62    63    35.00000  117.00000
   67    71    74    51.80000  107.20000
   67    71    77    51.80000  107.20000
   69    67    68    33.00000  107.80000
   71    67    68    35.00000  109.50000
   71    67    69    35.00000  109.50000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    58    56.20000  109.47000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   74    58    59    37.50000  110.70000
   74    58    60    37.50000  110.70000
   76    74    75    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    63.00000  111.10000
   58    74    75    37.50000  110.70000
   58    74    76    37.50000  110.70000
   60    58    59    33.00000  107.80000
   77    71    74    51.80000  107.20000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   64    61    62    70.00000  124.00000
   64    70    72    83.00000  116.90000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    72    73    83.00000  123.40000
   70    72    81    81.00000  111.40000
   72    81    40    63.00000  111.10000
   72    81    82    63.00000  111.10000
   72    81    86    90.00000  108.74100
   81    72    73    80.00000  120.40000
   81    40    41    37.50000  110.70000
   81    40    44    58.35000  112.70000
   81    82    83    37.50000  110.70000
   81    82    84    37.50000  110.70000
   81    82    85    37.50000  110.70000
   81    86    87    83.00000  116.90000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   82    81    40    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    81    40    50.00000  109.50000
   86    81    82    50.00000  109.50000
   86    87    88    83.00000  123.40000
   86    87    89    81.00000  111.40000
   87    89    90    35.00000  109.50000
   87    89    91    35.00000  109.50000
   87    89    92    35.00000  109.50000
   89    87    88    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   48    38    39    35.00000  109.50000
   48    38    42    70.00000  109.06800
   48    51    52    35.00000  120.00000
   48    51    53    35.00000  120.00000
   51    48    49    35.00000  120.00000
   53    51    52    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    50   0.36750  1.0 3.0
   33    38    48    49   0.00000  1.0 1.0
   33    38    48    51   0.09850  1.0 1.0
   33    38    48    51   0.15250 -1.0 2.0
   33    38    48    51  -0.50650  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    38    48   0.15000  1.0 3.0
   34    33    40    81   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    81   0.56750  1.0 1.0
   38    33    40    81  -0.07550 -1.0 2.0
   38    33    40    81   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42    50    54   1.63150  1.0 1.0
   38    42    50    54   2.92000 -1.0 2.0
   38    48    51    52   7.00000 -1.0 2.0
   38    48    51    53   7.00000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    50   0.00000  1.0 1.0
   39    38    48    49   0.33100  1.0 3.0
   39    38    48    51   0.00000  1.0 1.0
   42    38    48    49   0.00000  1.0 1.0
   42    38    48    51  -0.51250  1.0 1.0
   42    38    48    51  -0.88800 -1.0 2.0
   42    38    48    51   0.08850  1.0 3.0
   42    50    54    55   0.08050  1.0 3.0
   42    50    54    56  -1.80650  1.0 1.0
   42    50    54    56   0.63900 -1.0 2.0
   42    50    54    56   0.03650  1.0 3.0
   42    50    54    58  -0.25900  1.0 1.0
   42    50    54    58  -0.47000 -1.0 2.0
   42    50    54    58   0.11750  1.0 3.0
   43    42    50    54   3.00000 -1.0 2.0
   50    54    56    57   0.30150 -1.0 2.0
   50    54    56    61   0.65300  1.0 1.0
   50    54    56    61  -0.03850 -1.0 2.0
   50    54    56    61   0.33900  1.0 3.0
   50    54    58    74   0.62750  1.0 1.0
   50    54    58    74  -0.30950 -1.0 2.0
   50    54    58    74   0.27300  1.0 3.0
   50    54    58    59   0.23400  1.0 3.0
   50    54    58    60   0.23400  1.0 3.0
   54    56    61    62  -0.33500  1.0 1.0
   54    56    61    62   1.06600 -1.0 2.0
   54    56    61    62  -0.14000  1.0 3.0
   54    56    61    64   0.25700  1.0 1.0
   54    56    61    64   0.66200 -1.0 2.0
   54    56    61    64   0.04450  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    61   0.00000  1.0 1.0
   55    54    58    74   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   56    54    58    74  -0.95700  1.0 1.0
   56    54    58    74  -0.18200 -1.0 2.0
   56    54    58    74   0.29450  1.0 3.0
   56    54    58    59  -0.11250  1.0 3.0
   56    54    58    60  -0.11250  1.0 3.0
   56    61    62    63   7.00000 -1.0 2.0
   56    61    62    67   7.00000 -1.0 2.0
   56    61    64    65   0.15000  1.0 3.0
   56    61    64    66   0.15000  1.0 3.0
   56    61    64    70   0.09700  1.0 1.0
   56    61    64    70   0.15600 -1.0 2.0
   56    61    64    70  -0.50800  1.0 3.0
   57    56    61    62   1.00000 -1.0 2.0
   57    56    61    64  -0.64400  1.0 1.0
   57    56    61    64   0.26850 -1.0 2.0
   61    62    67    68   0.00000  1.0 1.0
   61    62    67    69   0.00000  1.0 1.0
   61    62    67    71   0.90200  1.0 1.0
   61    62    67    71   0.57900 -1.0 2.0
   61    62    67    71  -0.62100  1.0 3.0
   61    64    70    72  -0.82050  1.0 1.0
   61    64    70    72   0.00600 -1.0 2.0
   61    64    70    72   0.04400  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    66   0.00000  1.0 1.0
   62    61    64    70   0.39000  1.0 1.0
   62    61    64    70  -0.05800 -1.0 2.0
   62    61    64    70  -0.55150  1.0 3.0
   62    67    71    74  -0.60800  1.0 1.0
   62    67    71    74   1.10050 -1.0 2.0
   62    67    71    74   0.47000  1.0 3.0
   62    67    71    77  -0.60800  1.0 1.0
   62    67    71    77   1.10050 -1.0 2.0
   62    67    71    77   0.47000  1.0 3.0
   63    62    67    68   0.33100  1.0 3.0
   63    62    67    69   0.33100  1.0 3.0
   63    62    67    71   0.00000  1.0 1.0
   67    71    74    75   0.28000  1.0 3.0
   67    71    74    76   0.28000  1.0 3.0
   67    71    74    58   0.23450  1.0 1.0
   67    71    74    58   0.02050 -1.0 2.0
   67    71    74    58   0.25250  1.0 3.0
   67    71    77    78   0.28000  1.0 3.0
   67    71    77    79   0.28000  1.0 3.0
   67    71    77    80   0.28000  1.0 3.0
   68    67    71    74   0.28000  1.0 3.0
   68    67    71    77   0.28000  1.0 3.0
   69    67    71    74   0.28000  1.0 3.0
   69    67    71    77   0.28000  1.0 3.0
   71    74    58    54   1.53400  1.0 1.0
   71    74    58    54  -0.09950 -1.0 2.0
   71    74    58    54   0.05700  1.0 3.0
   71    74    58    59   0.15000  1.0 3.0
   71    74    58    60   0.15000  1.0 3.0
   74    71    77    78   0.28000  1.0 3.0
   74    71    77    79   0.28000  1.0 3.0
   74    71    77    80   0.28000  1.0 3.0
   75    74    58    54   0.15000  1.0 3.0
   75    74    58    59   0.15000  1.0 3.0
   75    74    58    60   0.15000  1.0 3.0
   76    74    58    54   0.15000  1.0 3.0
   76    74    58    59   0.15000  1.0 3.0
   76    74    58    60   0.15000  1.0 3.0
   58    54    56    57   0.30150 -1.0 2.0
   58    54    56    61   0.65300  1.0 1.0
   58    54    56    61  -0.03850 -1.0 2.0
   58    54    56    61   0.33900  1.0 3.0
   77    71    74    75   0.28000  1.0 3.0
   77    71    74    76   0.28000  1.0 3.0
   77    71    74    58   0.23450  1.0 1.0
   77    71    74    58   0.02050 -1.0 2.0
   77    71    74    58   0.25250  1.0 3.0
   64    61    62    63   7.00000 -1.0 2.0
   64    61    62    67   7.00000 -1.0 2.0
   64    70    72    73   3.00000 -1.0 2.0
   64    70    72    81   1.63150  1.0 1.0
   64    70    72    81   2.92000 -1.0 2.0
   65    64    70    72   0.08050  1.0 3.0
   66    64    70    72   0.08050  1.0 3.0
   70    72    81    40   0.36750  1.0 3.0
   70    72    81    82   0.36750  1.0 3.0
   70    72    81    86   0.40000  1.0 3.0
   72    81    40    33  -0.95700  1.0 1.0
   72    81    40    33  -0.18200 -1.0 2.0
   72    81    40    33   0.29450  1.0 3.0
   72    81    40    41  -0.11250  1.0 3.0
   72    81    40    44  -0.95700  1.0 1.0
   72    81    40    44  -0.18200 -1.0 2.0
   72    81    40    44   0.29450  1.0 3.0
   72    81    82    83  -0.11250  1.0 3.0
   72    81    82    84  -0.11250  1.0 3.0
   72    81    82    85  -0.11250  1.0 3.0
   72    81    86    87  -1.80650  1.0 1.0
   72    81    86    87   0.63900 -1.0 2.0
   72    81    86    87   0.03650  1.0 3.0
   73    72    81    40   0.30150 -1.0 2.0
   73    72    81    82   0.30150 -1.0 2.0
   73    72    81    86   0.30150 -1.0 2.0
   81    40    44    45   0.15000  1.0 3.0
   81    40    44    46   0.15000  1.0 3.0
   81    40    44    47   0.15000  1.0 3.0
   81    86    87    88   3.00000 -1.0 2.0
   81    86    87    89   1.63150  1.0 1.0
   81    86    87    89   2.92000 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42  -0.95700  1.0 1.0
   40    33    38    42  -0.18200 -1.0 2.0
   40    33    38    42   0.29450  1.0 3.0
   40    33    38    48   0.34400  1.0 1.0
   40    33    38    48   0.09450 -1.0 2.0
   40    33    38    48   0.11100  1.0 3.0
   40    81    82    83   0.15000  1.0 3.0
   40    81    82    84   0.15000  1.0 3.0
   40    81    82    85   0.15000  1.0 3.0
   40    81    86    87  -0.25900  1.0 1.0
   40    81    86    87  -0.47000 -1.0 2.0
   40    81    86    87   0.11750  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   82    81    40    33   0.56750  1.0 1.0
   82    81    40    33  -0.07550 -1.0 2.0
   82    81    40    33   0.20000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    44   0.56750  1.0 1.0
   82    81    40    44  -0.07550 -1.0 2.0
   82    81    40    44   0.20000  1.0 3.0
   82    81    86    87  -0.25900  1.0 1.0
   82    81    86    87  -0.47000 -1.0 2.0
   82    81    86    87   0.11750  1.0 3.0
   86    81    40    33   0.62750  1.0 1.0
   86    81    40    33  -0.30950 -1.0 2.0
   86    81    40    33   0.27300  1.0 3.0
   86    81    40    41   0.23400  1.0 3.0
   86    81    40    44   0.62750  1.0 1.0
   86    81    40    44  -0.30950 -1.0 2.0
   86    81    40    44   0.27300  1.0 3.0
   86    81    82    83   0.23400  1.0 3.0
   86    81    82    84   0.23400  1.0 3.0
   86    81    82    85   0.23400  1.0 3.0
   86    87    89    90   0.00000  1.0 1.0
   86    87    89    91   0.00000  1.0 1.0
   86    87    89    92   0.00000  1.0 1.0
   88    87    89    90   0.00000  1.0 1.0
   88    87    89    91   0.00000  1.0 1.0
   88    87    89    92   0.00000  1.0 1.0
   48    38    42    43   0.30150 -1.0 2.0
   48    38    42    50   0.40000  1.0 3.0
   49    48    51    52   7.00000 -1.0 2.0
   49    48    51    53   7.00000 -1.0 2.0
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
   38    50    42    43  10.50000 -1.0 2.0
   54    61    56    57  10.50000 -1.0 2.0
   56    64    61    62   1.10000 -1.0 2.0
   67    63    62    61   1.10000 -1.0 2.0
   70    81    72    73  10.50000 -1.0 2.0
   86    89    87    88  10.50000 -1.0 2.0
   38    49    48    51  15.00000 -1.0 2.0
   52    53    51    48  15.00000 -1.0 2.0
END
