* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    161    226     453
    1     0 S   NP   _N1_     1    29.22328    90.11331   -25.63567
    2     1 S   H    _HN1     2     1.02776    96.58505  -125.22764
    3     1 S   H    _H1_     3     1.02960   124.47909    -7.62550
    4     1 S   H    _H2_     4     1.02837    17.84089     5.37462
    5     1 S   CT   _CA1     5     1.50108   104.06176   119.80518
    6     5 S   HC   _HA1     6     1.09576   105.23613    41.74767
    7     5 S   CO3  _C1_     7     1.53811   112.42540   -78.44055
    8     7 S   O2Z  _O11     8     1.26360   114.99341   -43.33763
    9     7 S   O2Z  _O12     9     1.26248   114.94049   135.87961
   10     5 S   CT   _CB1    10     1.53116   107.44012   159.65220
   11    10 S   HC   HB11    11     1.09819   109.37128   -51.16186
   12    10 S   HC   HB12    12     1.09816   110.41337    65.42990
   13    10 S   CT   _CG1    13     1.52957   112.58312  -172.28347
   14    13 S   HC   HG11    14     1.09587   110.33813   -63.65351
   15    13 S   HC   HG12    15     1.09652   110.00584    55.49247
   16    13 S   C    _CD1    16     1.51813   112.51173   175.98717
   17    16 S   O    _OE1    17     1.22713   123.36469    -2.71779
   18    16 S   N    _N2_    18     1.38480   111.46689   177.14179
   19    18 S   H    _HN2    19     1.01526   118.83796     5.42397
   20    18 S   CT1  _CA2    20     1.45832   123.42216   178.65929
   21    20 S   HC   _HA2    21     1.09721   109.21693    14.31732
   22    20 S   C    _C2_    22     1.52827   106.96382  -102.58011
   23    22 S   O    _O2_    23     1.22968   123.03419   -25.80160
   24    20 S   CT   _CB2    32     1.53158   111.62806   137.38461
   25    24 S   HC   HB21    33     1.09475   109.88961    51.93853
   26    24 S   HC   HB22    34     1.09488   110.24257   171.07608
   27    22 S   N    _N3_    24     1.38492   112.53908   156.61608
   28    27 S   H    _HN3    25     1.01652   120.36026    -1.04717
   29    24 S   S    _SG2    35     1.82889   110.38990   -69.31542
   30    27 S   CT   _CA3    26     1.45347   122.49175   179.76593
   31    30 S   HC   HA31    27     1.09530   107.89607   -55.82228
   32    30 S   HC   HA32    28     1.09568   107.51224    60.42850
   33    29 S   CT   _C19    36     1.87908   101.44797   170.30876
   34    30 S   CO3  _C3_    29     1.52896   114.25426  -177.77112
   35    34 S   O2Z  _O31    30     1.26339   116.00505     6.74820
   36    34 S   O2Z  _O32    31     1.26430   114.44633  -173.36842
   37    33 S   CT   _C20    37     1.55228   106.17393  -101.15173
   38    37 S   HC   _H22    38     1.09732   111.50318   -55.88683
   39    37 S   HC   _H23    39     1.09696   110.81620  -172.44903
   40    33 S   CT   _C5_    47     1.58807   108.05112   138.67290
   41    40 S   HC   _H3_    48     1.09818   107.61759  -175.15920
   42    33 S   OS   _O36    86     1.43866   109.34192    17.90976
   43    37 S   CO4  _C21    40     1.51754   114.98284    67.06061
   44    43 S   O    _O34    41     1.22390   124.34907    72.10966
   45    40 S   CT   _C4_    49     1.54818   113.17932    70.33089
   46    45 S   HC   _H5_    50     1.09391   111.92308   -61.81011
   47    45 S   HC   _H6_    51     1.09508   111.42482   177.92199
   48    45 S   HC   _H7_    52     1.09373   111.51567    60.09438
   49    40 S   CT   _C6_    53     1.57268   116.35984   -56.26722
   50    49 S   HC   _H4_    54     1.09749   108.70050    70.55403
   51    42 S   CT   _C23    87     1.42028   118.31160  -178.17973
   52    51 S   HC   _H27    88     1.09407   107.55845   176.42796
   53    51 S   HC   _H28    89     1.09151   112.20365    58.19138
   54    51 S   HC   _H29    90     1.09160   111.79049   -65.89112
   55    43 S   OS   _O35    42     1.36458   110.07510  -108.15554
   56    49 S   CM   _C7_    55     1.51116   114.36902   -50.26151
   57    56 S   HC   _H8_    56     1.08816   114.82050    76.32785
   58    49 S   OS   _O33    81     1.44076   107.33090  -172.42822
   59    55 S   CT   _C22    43     1.43063   115.34176  -179.04756
   60    59 S   HC   _H24    44     1.09317   108.12795  -177.25248
   61    59 S   HC   _H25    45     1.09407   110.11051    64.09680
   62    59 S   HC   _H26    46     1.09418   110.48438   -58.44656
   63    56 S   CM   _C8_    57     1.34428   126.71503  -104.03920
   64    63 S   HC   _H9_    58     1.08734   118.59075    -0.34264
   65    58 S   CT   _C18    82     1.42333   113.01916  -144.79386
   66    65 S   HC   _H19    83     1.09323   108.22069  -177.33149
   67    65 S   HC   _H20    84     1.09423   110.23005    64.17189
   68    65 S   HC   _H21    85     1.09391   111.02864   -58.19889
   69    63 S   C5B  _C9_    59     1.42764   124.77477   178.51338
   70    69 S   C5A  _C10    60     1.37877   124.20304   173.59115
   71    70 S   HA   _H10    61     1.08116   129.18760    -0.83907
   72    70 S   SA   _S1_    62     1.71481   109.50798   179.15605
   73    72 S   CRA  _C11    63     1.72065    89.70911    -0.45757
   74    73 S   C5B  _C12    64     1.48666   122.57681  -178.88917
   75    69 S   N5B  _N4_    80     1.38120   120.15208    -7.59590
   76    74 S   C5A  _C13    65     1.38036   122.74322   178.81915
   77    76 S   HA   _H11    66     1.08143   129.08519     0.59938
   78    76 S   SA   _S2_    67     1.71320   109.76704  -179.20648
   79    78 S   CRA  _C14    68     1.72043    89.66582    -0.52265
   80    74 S   N5B  _N5_    69     1.38357   121.96249    -0.73913
   81    79 S   CT   _C15    70     1.50561   120.33313  -179.48414
   82    81 S   HC   _H12    71     1.09764   109.87219    -0.64771
   83    81 S   CT   _C16    72     1.52911   110.47129  -119.29287
   84    83 S   HC   _H13    73     1.09602   111.63425   -61.77064
   85    83 S   HC   _H14    74     1.09524   110.73569   177.97551
   86    83 S   HC   _H15    75     1.09580   110.92298    58.24828
   87    81 S   CT   _C17    76     1.52911   110.42514   117.99811
   88    87 S   HC   _H16    77     1.09602   111.62485    61.70995
   89    87 S   HC   _H17    78     1.09582   110.92434   -58.29914
   90    87 S   HC   _H18    79     1.09523   110.73959  -178.02870
  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  11   5   4   3
  21   2   1   1  12   6   5  15   9   7   6   2   7   3   2   1
  11   5   3   2   1   1   4   8   4   5   3   2   1   1   7   3
   3   2   1   1   6   5   3   5   7   7   2   5   3   6  11   4
   9   8   7   3   2   1   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    40    41    45    49    42    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    55    40    41    45    46    47    48    49    50    56    58    42    51    52    53    54  
   35    36  
   36  
    0  
   38    39    43    44    55    59    40    41    45    49    42    51  
   39    43    44    55    40    42  
   43    44    55    40    42  
   41    45    46    47    48    49    50    56    57    63    58    65    42    51    43  
   45    46    47    48    49    50    56    58    42  
   51    52    53    54    43    45    49  
   44    55    59    60    61    62  
   55    59  
   46    47    48    49    50    56    58  
   47    48    49  
   48    49  
   49  
   50    56    57    63    64    69    58    65    66    67    68  
   56    57    63    58    65  
   52    53    54  
   53    54  
   54  
    0  
   59    60    61    62  
   57    63    64    69    70    75    58    65  
   63    64    69    58  
   65    66    67    68    63  
   60    61    62  
   61    62  
   62  
    0  
   64    69    70    71    72    73    75  
   69    70    75  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73    75  
   73    74    76    80    75  
   74    76    77    78    79    80    75  
   76    77    78    79    80    81    75  
   76    80  
   77    78    79    80    81  
   78    79    80  
   79    80    81    82    83    87  
   80    81    82    83    84    85    86    87    88    89    90  
   81    82    83    87  
   82    83    84    85    86    87    88    89    90  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    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  -0.316400   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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   72   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   73   3.5500   0.0700   0.300900   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.284300   2.5000   1.7750   0.001000000  -0.843144165
   75   3.2800   0.1700  -0.480300   1.8000   1.6000   0.001000000  -0.511443539
   76   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   78   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   79   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
   80   3.2800   0.1700  -0.480300   1.8000   1.6000   0.001000000  -0.511443539
   81   3.5000   0.0660   0.055000   2.4950   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.3810   1.2100   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   1.3810   1.2100   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.5000   0.0300   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    55   214.000  1.327
   55    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   40    41   340.000  1.090
   40    45   268.000  1.529
   40    49   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    56   317.000  1.510
   49    58   320.000  1.410
   56    57   340.000  1.080
   56    63   549.000  1.340
   63    64   340.000  1.080
   63    69   320.000  1.460
   69    70   520.000  1.370
   69    75   410.000  1.394
   70    71   367.000  1.080
   70    72   265.000  1.745
   72    73   250.000  1.765
   73    74   330.000  1.454
   73    75   488.000  1.335
   74    76   520.000  1.370
   74    80   410.000  1.394
   76    77   367.000  1.080
   76    78   265.000  1.745
   78    79   250.000  1.765
   79    80   488.000  1.335
   79    81   295.000  1.488
   81    82   340.000  1.090
   81    83   268.000  1.529
   81    87   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   58    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   42    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    45    58.35000  112.70000
   33    40    49    58.35000  112.70000
   33    42    51    60.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    55    81.00000  111.40000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    55    59    83.00000  116.90000
   55    43    44    83.00000  123.40000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   40    49    50    37.50000  110.70000
   40    49    56    70.00000  112.02700
   40    49    58    50.00000  109.50000
   45    40    41    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    40    41    37.50000  110.70000
   49    40    45    58.35000  112.70000
   49    56    57    35.00000  117.00000
   49    56    63    70.00000  124.00000
   49    58    65    60.00000  109.50000
   56    49    50    35.00000  109.50000
   56    63    64    35.00000  120.00000
   56    63    69    60.00000  123.20500
   63    56    57    35.00000  120.00000
   63    69    70    60.00000  120.93500
   63    69    75    70.00000  118.40000
   69    63    64    40.00000  117.26300
   69    70    71    35.00000  130.70000
   69    70    72    80.00000  111.29200
   69    75    73    70.00000  110.00000
   70    72    73   120.00000   89.04400
   72    70    71    40.00000  122.38200
   72    73    74    65.00000  123.00000
   72    73    75    80.00000  114.57700
   73    74    76    55.00000  131.00000
   73    74    80    70.00000  121.90000
   74    76    77    35.00000  130.70000
   74    76    78    80.00000  111.29200
   74    80    79    70.00000  110.00000
   76    78    79   120.00000   89.04400
   78    76    77    40.00000  122.38200
   78    79    80    80.00000  114.57700
   78    79    81    65.00000  125.49400
   79    81    82    45.00000  109.19200
   79    81    83    70.00000  112.56400
   79    81    87    70.00000  112.56400
   80    74    76    70.00000  111.00000
   81    79    80    65.00000  125.57700
   81    83    84    37.50000  110.70000
   81    83    85    37.50000  110.70000
   81    83    86    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    90    37.50000  110.70000
   83    81    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
   87    81    82    37.50000  110.70000
   87    81    83    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   75    69    70    70.00000  111.00000
   75    73    74    65.00000  126.92000
   58    49    50    35.00000  109.50000
   58    49    56    85.00000  110.90400
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   42    33    37    50.00000  109.50000
   42    33    40    50.00000  109.50000
   42    51    52    35.00000  109.50000
   42    51    53    35.00000  109.50000
   42    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   29    33    40    49   0.44750  1.0 1.0
   29    33    40    49  -0.17800 -1.0 2.0
   29    33    40    49   0.20200  1.0 3.0
   29    33    42    51   0.14700  1.0 1.0
   29    33    42    51  -1.16150 -1.0 2.0
   29    33    42    51   0.48700  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    55   0.36750  1.0 3.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    48   0.15000  1.0 3.0
   33    40    49    50   0.15000  1.0 3.0
   33    40    49    56   0.34400  1.0 1.0
   33    40    49    56   0.09450 -1.0 2.0
   33    40    49    56   0.11100  1.0 3.0
   33    40    49    58   0.62750  1.0 1.0
   33    40    49    58  -0.30950 -1.0 2.0
   33    40    49    58   0.27300  1.0 3.0
   33    42    51    52   0.37050  1.0 3.0
   33    42    51    53   0.37050  1.0 3.0
   33    42    51    54   0.37050  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    45   0.56750  1.0 1.0
   37    33    40    45  -0.07550 -1.0 2.0
   37    33    40    45   0.20000  1.0 3.0
   37    33    40    49   0.56750  1.0 1.0
   37    33    40    49  -0.07550 -1.0 2.0
   37    33    40    49   0.20000  1.0 3.0
   37    33    42    51   0.06250  1.0 1.0
   37    33    42    51  -0.01100 -1.0 2.0
   37    33    42    51   0.28050  1.0 3.0
   37    43    55    59   1.63150  1.0 1.0
   37    43    55    59   2.92000 -1.0 2.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    55   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    55   0.00000  1.0 1.0
   43    55    59    60   0.08050  1.0 3.0
   43    55    59    61   0.08050  1.0 3.0
   43    55    59    62   0.08050  1.0 3.0
   44    43    55    59   3.00000 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    42    51   0.06250  1.0 1.0
   40    33    42    51  -0.01100 -1.0 2.0
   40    33    42    51   0.28050  1.0 3.0
   40    49    56    57   0.00000  1.0 1.0
   40    49    56    63   0.09850  1.0 1.0
   40    49    56    63   0.15250 -1.0 2.0
   40    49    56    63  -0.50650  1.0 3.0
   40    49    58    65   0.06250  1.0 1.0
   40    49    58    65  -0.01100 -1.0 2.0
   40    49    58    65   0.28050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   41    40    49    50   0.15000  1.0 3.0
   41    40    49    56   0.15000  1.0 3.0
   41    40    49    58   0.23400  1.0 3.0
   45    40    49    50   0.15000  1.0 3.0
   45    40    49    56   0.34400  1.0 1.0
   45    40    49    56   0.09450 -1.0 2.0
   45    40    49    56   0.11100  1.0 3.0
   45    40    49    58   0.62750  1.0 1.0
   45    40    49    58  -0.30950 -1.0 2.0
   45    40    49    58   0.27300  1.0 3.0
   49    40    45    46   0.15000  1.0 3.0
   49    40    45    47   0.15000  1.0 3.0
   49    40    45    48   0.15000  1.0 3.0
   49    56    63    64   7.00000 -1.0 2.0
   49    56    63    69   7.00000 -1.0 2.0
   49    58    65    66   0.37050  1.0 3.0
   49    58    65    67   0.37050  1.0 3.0
   49    58    65    68   0.37050  1.0 3.0
   50    49    56    57   0.33100  1.0 3.0
   50    49    56    63   0.00000  1.0 1.0
   50    49    58    65   0.37050  1.0 3.0
   56    49    58    65  -0.77900  1.0 1.0
   56    49    58    65  -0.36900 -1.0 2.0
   56    49    58    65   0.40400  1.0 3.0
   56    63    69    70   0.15800  1.0 1.0
   56    63    69    70   1.85350 -1.0 2.0
   56    63    69    70  -0.48700  1.0 3.0
   56    63    69    75   0.11450  1.0 1.0
   56    63    69    75   1.85100 -1.0 2.0
   56    63    69    75  -0.49050  1.0 3.0
   57    56    63    64   7.00000 -1.0 2.0
   57    56    63    69   7.00000 -1.0 2.0
   63    69    70    71   3.62500 -1.0 2.0
   63    69    70    72   3.62500 -1.0 2.0
   63    69    75    73   3.62500 -1.0 2.0
   64    63    69    70   0.56550  1.0 3.0
   64    63    69    75   0.54250  1.0 3.0
   69    70   -72    73   3.62500 -1.0 2.0
   70    69   -75    73   2.40000 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72   -73    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    73    74    76   0.13800  1.0 1.0
   72    73    74    76   0.61700 -1.0 2.0
   72    73    74    76   0.18800  1.0 3.0
   72    73    74    80  -0.86650  1.0 1.0
   72    73    74    80   1.49250 -1.0 2.0
   72    73    74    80   0.28400  1.0 3.0
   72    73   -75    69   3.62500 -1.0 2.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    78   3.62500 -1.0 2.0
   73    74    80    79   3.62500 -1.0 2.0
   74    73    75    69   3.62500 -1.0 2.0
   74    76   -78    79   3.62500 -1.0 2.0
   76    74   -80    79   2.40000 -1.0 2.0
   76    78   -79    80   3.62500 -1.0 2.0
   76    78    79    81   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    79   -80    74   3.62500 -1.0 2.0
   78    79    81    82   0.00000  1.0 1.0
   78    79    81    83  -1.00500  1.0 1.0
   78    79    81    83  -0.91300 -1.0 2.0
   78    79    81    83   0.11400  1.0 3.0
   78    79    81    87  -1.00500  1.0 1.0
   78    79    81    87  -0.91300 -1.0 2.0
   78    79    81    87   0.11400  1.0 3.0
   79    81    83    84   0.43200  1.0 3.0
   79    81    83    85   0.43200  1.0 3.0
   79    81    83    86   0.43200  1.0 3.0
   79    81    87    88   0.43200  1.0 3.0
   79    81    87    89   0.43200  1.0 3.0
   79    81    87    90   0.43200  1.0 3.0
   80    74    76    77   3.62500 -1.0 2.0
   80    74   -76    78   3.62500 -1.0 2.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    83   0.29300  1.0 1.0
   80    79    81    83  -1.19700 -1.0 2.0
   80    79    81    83   0.60900  1.0 3.0
   80    79    81    87   0.29300  1.0 1.0
   80    79    81    87  -1.19700 -1.0 2.0
   80    79    81    87   0.60900  1.0 3.0
   81    79    80    74   3.62500 -1.0 2.0
   82    81    83    84   0.15000  1.0 3.0
   82    81    83    85   0.15000  1.0 3.0
   82    81    83    86   0.15000  1.0 3.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    89   0.15000  1.0 3.0
   82    81    87    90   0.15000  1.0 3.0
   83    81    87    88   0.15000  1.0 3.0
   83    81    87    89   0.15000  1.0 3.0
   83    81    87    90   0.15000  1.0 3.0
   87    81    83    84   0.15000  1.0 3.0
   87    81    83    85   0.15000  1.0 3.0
   87    81    83    86   0.15000  1.0 3.0
   75    69    70    71   3.62500 -1.0 2.0
   75    69   -70    72   3.62500 -1.0 2.0
   75    73    74    76   0.04300  1.0 1.0
   75    73    74    76   0.58850 -1.0 2.0
   75    73    74    76   0.22750  1.0 3.0
   75    73    74    80   0.60800  1.0 1.0
   75    73    74    80   1.31550 -1.0 2.0
   75    73    74    80   1.01100  1.0 3.0
   58    49    56    57   0.00000  1.0 1.0
   58    49    56    63   0.39000  1.0 1.0
   58    49    56    63  -0.05800 -1.0 2.0
   58    49    56    63  -0.55150  1.0 3.0
   42    33    37    38   0.23400  1.0 3.0
   42    33    37    39   0.23400  1.0 3.0
   42    33    37    43  -0.09450  1.0 1.0
   42    33    37    43  -1.12950 -1.0 2.0
   42    33    37    43   0.54000  1.0 3.0
   42    33    40    41   0.23400  1.0 3.0
   42    33    40    45   0.62750  1.0 1.0
   42    33    40    45  -0.30950 -1.0 2.0
   42    33    40    45   0.27300  1.0 3.0
   42    33    40    49   0.62750  1.0 1.0
   42    33    40    49  -0.30950 -1.0 2.0
   42    33    40    49   0.27300  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
   37    55    43    44  10.50000 -1.0 2.0
   49    57    56    63  15.00000 -1.0 2.0
   69    64    63    56  15.00000 -1.0 2.0
   70    75    69    63   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   74    75    73    72   4.00000 -1.0 2.0
   76    80    74    73   4.00000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   81    80    79    78   4.00000 -1.0 2.0
END
