* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    156    246     465
    1     0 S   NP   _N1_     1    29.12882    92.55766   -22.90595
    2     1 S   H    _HN1     2     1.02824    16.49240   149.02268
    3     1 S   H    _H1_     3     1.02773    99.49481   -88.56168
    4     1 S   H    _H2_     4     1.02971    97.28629    21.46551
    5     1 S   CT   _CA1     5     1.50152   127.21550   143.90391
    6     5 S   HC   _HA1     6     1.09577   105.22386    60.75235
    7     5 S   CO3  _C1_     7     1.53820   112.35585   -59.33795
    8     7 S   O2Z  _O11     8     1.26356   115.04926   -43.02025
    9     7 S   O2Z  _O12     9     1.26259   114.89159   135.98184
   10     5 S   CT   _CB1    10     1.53054   107.33123   178.54761
   11    10 S   HC   HB11    11     1.09823   109.28978   -51.36597
   12    10 S   HC   HB12    12     1.09787   110.28778    65.03641
   13    10 S   CT   _CG1    13     1.53012   112.83357  -172.57392
   14    13 S   HC   HG11    14     1.09595   110.31962   -62.91641
   15    13 S   HC   HG12    15     1.09631   110.13916    56.35354
   16    13 S   C    _CD1    16     1.51795   112.20630   176.61430
   17    16 S   O    _OE1    17     1.22750   123.24629    -8.03182
   18    16 S   N    _N2_    18     1.38700   111.77120   172.41064
   19    18 S   H    _HN2    19     1.01574   119.15798     2.55382
   20    18 S   CT1  _CA2    20     1.46052   123.12929  -177.42458
   21    20 S   HC   _HA2    21     1.09577   109.19959    -3.76463
   22    20 S   C    _C2_    22     1.53450   109.25237  -119.08532
   23    22 S   O    _O2_    23     1.23056   121.96308  -148.93707
   24    20 S   CT   _CB2    32     1.53527   111.76748   118.18707
   25    24 S   HC   HB21    33     1.09662   109.49927    67.08615
   26    24 S   HC   HB22    34     1.09579   110.75139  -175.76955
   27    22 S   N    _N3_    24     1.38427   113.66413    38.59301
   28    27 S   H    _HN3    25     1.01503   118.95259    -0.71436
   29    24 S   S    _SG2    35     1.82883   114.99977   -52.42912
   30    27 S   CT   _CA3    26     1.45449   123.47225   175.00143
   31    30 S   HC   HA31    27     1.09521   109.27039    24.02633
   32    30 S   HC   HA32    28     1.09497   107.12194   141.03522
   33    29 S   CT   _C19    36     1.82674   100.17354   -66.81291
   34    33 S   HC   _H3_    37     1.09336   107.06972   -65.16914
   35    33 S   HC   _H4_    38     1.09321   109.60265    52.39055
   36    30 S   CO3  _C3_    29     1.52919   113.06025   -99.47031
   37    36 S   O2Z  _O31    30     1.26406   115.38249   -45.22940
   38    36 S   O2Z  _O32    31     1.26351   114.99924   135.68534
   39    33 S   CT   _C11    39     1.53109   110.68308   173.82937
   40    39 S   HC   _H32    40     1.09334   111.51777    41.07451
   41    39 S   CO4  _C5_    41     1.51305   112.52658   -80.34273
   42    41 S   O    _O19    42     1.22080   126.45430    42.05329
   43    41 S   OS   _O21    43     1.36781   109.85847  -139.74725
   44    43 S   CT   _C15    44     1.44110   111.03655    -1.72952
   45    44 S   HC   _H36    45     1.09899   105.74309   135.13007
   46    39 S   CT   _C13    46     1.53216   112.52237   166.93441
   47    46 S   HC   _H34    47     1.10294   106.11541    41.43822
   48    44 S   CT   _C16    66     1.55490   111.42329  -107.86742
   49    46 S   CT   _C9_    48     1.52976   116.68892   -75.25697
   50    49 S   HC   _H28    49     1.09715   109.46551   172.29024
   51    49 S   HC   _H29    50     1.09726   107.80589    58.51277
   52    48 S   CT   _C20    67     1.54428   117.26332    46.33226
   53    52 S   HC   _H45    68     1.09637   110.58052  -175.18411
   54    52 S   HC   _H46    69     1.09121   110.97190    64.57881
   55    49 S   CT   _C10    51     1.52414   116.61701   -62.29423
   56    55 S   HC   _H30    52     1.09288   110.98389    41.33672
   57    55 S   HC   _H31    53     1.09925   107.51093   155.26578
   58    52 S   OS   _O22    70     1.43845   111.54455   -56.06119
   59    55 S   CT   _C14    54     1.53726   114.65995   -85.85604
   60    59 S   HC   _H35    55     1.10094   105.96977   -76.17083
   61    58 S   CO4  _C6_    71     1.36214   115.97951   176.16646
   62    61 S   O    _O20    72     1.22340   126.14184     0.36154
   63    59 S   CT   _C12    56     1.54482   114.55203    39.14253
   64    63 S   HC   _H33    57     1.10276   105.43232   -77.39151
   65    61 S   CT   _C17    73     1.49839   109.63778  -179.19158
   66    65 S   HC   _H37    74     1.09305   109.89256   -56.14613
   67    65 S   HC   _H38    75     1.09376   109.33566  -174.92132
   68    65 S   HC   _H39    76     1.09248   109.86509    65.78041
   69    59 S   CT   _C18    77     1.53383   109.48272   171.36919
   70    69 S   HC   _H40    78     1.09220   112.40116   -70.62188
   71    69 S   HC   _H41    79     1.09436   111.37486   167.53767
   72    69 S   HC   _H42    80     1.09610   110.42685    49.30812
   73    63 S   CT   _C8_    58     1.53497   114.32549   167.73195
   74    73 S   HC   _H26    59     1.09467   112.20114    64.22010
   75    73 S   HC   _H27    60     1.09535   111.93529   -57.29666
   76    73 S   CT   _C7_    61     1.51781   104.02304  -175.08630
   77    76 S   HC   _H24    62     1.09378   111.50355   -83.40593
   78    76 S   HC   _H25    63     1.09212   111.89439   151.92504
   79    76 S   CO4  _C4_    64     1.50650   102.19834    32.79324
   80    79 S   O    _O18    65     1.22633   122.26010   168.26384
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  19   7  12   5  20
   9   5   4  13   5   4  11   5   4   8  12   7   5   4  13   6
   3   2   1   1   4   2   1   1   7   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    49  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    49    50    51    55    48  
   41    42    43    44    46    47    49  
   42    43    44    45    46    47    49    48  
   43    44    46  
   44    45    46    47    49    63    79    48    52  
   45    46    47    49    50    51    55    59    63    64    73    76    79    80    48    52    53    54    58  
   46    47    49    63    79    48    52  
   47    49    50    51    55    56    57    59    63    79    48    52  
   49    50    51    55    48  
   52    53    54    58    61    69    49    55    59    60    63    64    73    74    75    76    77    78    79    80  
   50    51    55    56    57    59    60    63    69  
   51    55    56    57    59  
   55    56    57    59  
   53    54    58    61    62    65    59    63    64    73    76    79    80  
   54    58    61    63    79  
   58    61    63    79  
   56    57    59    60    63    64    73    69    70    71    72  
   57    59    60    63    69  
   59    60    63    69  
   61    62    65    66    67    68    63    79  
   60    63    64    73    74    75    76    79    69    70    71    72  
   63    64    73    69    70    71    72  
   62    65    66    67    68  
   65    66    67    68  
   64    73    74    75    76    77    78    79    80    69    70    71    72  
   73    74    75    76    79    69  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    69   268.000  1.529
   63    64   340.000  1.090
   63    73   268.000  1.529
   63    48   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   317.000  1.522
   79    80   570.000  1.229
   79    48   317.000  1.522
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    58   320.000  1.410
   58    61   214.000  1.327
   61    62   570.000  1.229
   61    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    49    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    48    63    58.35000  112.70000
   44    48    79    63.00000  111.10000
   44    48    52    58.35000  112.70000
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    55    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    63    58.35000  112.70000
   55    59    69    58.35000  112.70000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    73    58.35000  112.70000
   59    63    48    58.35000  112.70000
   59    69    70    37.50000  110.70000
   59    69    71    37.50000  110.70000
   59    69    72    37.50000  110.70000
   63    59    60    37.50000  110.70000
   63    73    74    37.50000  110.70000
   63    73    75    37.50000  110.70000
   63    73    76    58.35000  112.70000
   63    48    79    63.00000  111.10000
   63    48    52    58.35000  112.70000
   73    63    64    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    63.00000  111.10000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    80.00000  120.40000
   76    79    48    70.00000  116.00000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    48    52    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    63    64    37.50000  110.70000
   48    63    73    58.35000  112.70000
   48    79    80    80.00000  120.40000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    58    50.00000  109.50000
   52    58    61    83.00000  116.90000
   54    52    53    33.00000  107.80000
   58    52    53    35.00000  109.50000
   58    52    54    35.00000  109.50000
   58    61    62    83.00000  123.40000
   58    61    65    81.00000  111.40000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    68    35.00000  109.50000
   65    61    62    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    59    60    37.50000  110.70000
   69    59    63    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    49   0.56750  1.0 1.0
   33    39    46    49  -0.07550 -1.0 2.0
   33    39    46    49   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    49    50   0.15000  1.0 3.0
   39    46    49    51   0.15000  1.0 3.0
   39    46    49    55   0.56750  1.0 1.0
   39    46    49    55  -0.07550 -1.0 2.0
   39    46    49    55   0.20000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    49   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    49  -0.95700  1.0 1.0
   41    39    46    49  -0.18200 -1.0 2.0
   41    39    46    49   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    49   0.62750  1.0 1.0
   43    44    46    49  -0.30950 -1.0 2.0
   43    44    46    49   0.27300  1.0 3.0
   43    44    48    63   0.62750  1.0 1.0
   43    44    48    63  -0.30950 -1.0 2.0
   43    44    48    63   0.27300  1.0 3.0
   43    44    48    79  -0.09450  1.0 1.0
   43    44    48    79  -1.12950 -1.0 2.0
   43    44    48    79   0.54000  1.0 3.0
   43    44    48    52   0.62750  1.0 1.0
   43    44    48    52  -0.30950 -1.0 2.0
   43    44    48    52   0.27300  1.0 3.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    51   0.15000  1.0 3.0
   44    46    49    55   0.56750  1.0 1.0
   44    46    49    55  -0.07550 -1.0 2.0
   44    46    49    55   0.20000  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    54   0.15000  1.0 3.0
   44    48    52    58   0.62750  1.0 1.0
   44    48    52    58  -0.30950 -1.0 2.0
   44    48    52    58   0.27300  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    48    63   0.15000  1.0 3.0
   45    44    48    79  -0.11250  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    63   0.56750  1.0 1.0
   46    44    48    63  -0.07550 -1.0 2.0
   46    44    48    63   0.20000  1.0 3.0
   46    44    48    79  -0.95700  1.0 1.0
   46    44    48    79  -0.18200 -1.0 2.0
   46    44    48    79   0.29450  1.0 3.0
   46    44    48    52   0.56750  1.0 1.0
   46    44    48    52  -0.07550 -1.0 2.0
   46    44    48    52   0.20000  1.0 3.0
   46    49    55    56   0.15000  1.0 3.0
   46    49    55    57   0.15000  1.0 3.0
   46    49    55    59   0.56750  1.0 1.0
   46    49    55    59  -0.07550 -1.0 2.0
   46    49    55    59   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    55   0.15000  1.0 3.0
   49    55    59    60   0.15000  1.0 3.0
   49    55    59    63   0.56750  1.0 1.0
   49    55    59    63  -0.07550 -1.0 2.0
   49    55    59    63   0.20000  1.0 3.0
   49    55    59    69   0.56750  1.0 1.0
   49    55    59    69  -0.07550 -1.0 2.0
   49    55    59    69   0.20000  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    59   0.15000  1.0 3.0
   51    49    55    56   0.15000  1.0 3.0
   51    49    55    57   0.15000  1.0 3.0
   51    49    55    59   0.15000  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    73   0.56750  1.0 1.0
   55    59    63    73  -0.07550 -1.0 2.0
   55    59    63    73   0.20000  1.0 3.0
   55    59    63    48   0.56750  1.0 1.0
   55    59    63    48  -0.07550 -1.0 2.0
   55    59    63    48   0.20000  1.0 3.0
   55    59    69    70   0.15000  1.0 3.0
   55    59    69    71   0.15000  1.0 3.0
   55    59    69    72   0.15000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   56    55    59    69   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    63   0.15000  1.0 3.0
   57    55    59    69   0.15000  1.0 3.0
   59    63    73    74   0.15000  1.0 3.0
   59    63    73    75   0.15000  1.0 3.0
   59    63    73    76   0.56750  1.0 1.0
   59    63    73    76  -0.07550 -1.0 2.0
   59    63    73    76   0.20000  1.0 3.0
   59    63    48    44   0.56750  1.0 1.0
   59    63    48    44  -0.07550 -1.0 2.0
   59    63    48    44   0.20000  1.0 3.0
   59    63    48    79  -0.95700  1.0 1.0
   59    63    48    79  -0.18200 -1.0 2.0
   59    63    48    79   0.29450  1.0 3.0
   59    63    48    52   0.56750  1.0 1.0
   59    63    48    52  -0.07550 -1.0 2.0
   59    63    48    52   0.20000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    73   0.15000  1.0 3.0
   60    59    63    48   0.15000  1.0 3.0
   60    59    69    70   0.15000  1.0 3.0
   60    59    69    71   0.15000  1.0 3.0
   60    59    69    72   0.15000  1.0 3.0
   63    59    69    70   0.15000  1.0 3.0
   63    59    69    71   0.15000  1.0 3.0
   63    59    69    72   0.15000  1.0 3.0
   63    73    76    77   0.15000  1.0 3.0
   63    73    76    78   0.15000  1.0 3.0
   63    73   -76    79  -0.95700  1.0 1.0
   63    73   -76    79  -0.18200 -1.0 2.0
   63    73   -76    79   0.29450  1.0 3.0
   63    48    52    53   0.15000  1.0 3.0
   63    48    52    54   0.15000  1.0 3.0
   63    48    52    58   0.62750  1.0 1.0
   63    48    52    58  -0.30950 -1.0 2.0
   63    48    52    58   0.27300  1.0 3.0
   64    63    73    74   0.15000  1.0 3.0
   64    63    73    75   0.15000  1.0 3.0
   64    63    73    76   0.15000  1.0 3.0
   64    63    48    44   0.15000  1.0 3.0
   64    63    48    79  -0.11250  1.0 3.0
   64    63    48    52   0.15000  1.0 3.0
   73    63    48    44   0.56750  1.0 1.0
   73    63    48    44  -0.07550 -1.0 2.0
   73    63    48    44   0.20000  1.0 3.0
   73    63   -48    79  -0.95700  1.0 1.0
   73    63   -48    79  -0.18200 -1.0 2.0
   73    63   -48    79   0.29450  1.0 3.0
   73    63    48    52   0.56750  1.0 1.0
   73    63    48    52  -0.07550 -1.0 2.0
   73    63    48    52   0.20000  1.0 3.0
   73    76    79    80   0.30150 -1.0 2.0
   73    76   -79    48   0.60050  1.0 1.0
   73    76   -79    48   0.05600 -1.0 2.0
   73    76   -79    48   0.26150  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79  -0.11250  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79  -0.11250  1.0 3.0
   76    79    48    44   0.60050  1.0 1.0
   76    79    48    44   0.05600 -1.0 2.0
   76    79    48    44   0.26150  1.0 3.0
   76    79   -48    63   0.60050  1.0 1.0
   76    79   -48    63   0.05600 -1.0 2.0
   76    79   -48    63   0.26150  1.0 3.0
   76    79    48    52   0.60050  1.0 1.0
   76    79    48    52   0.05600 -1.0 2.0
   76    79    48    52   0.26150  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    48   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    48   0.00000  1.0 1.0
   79    48    52    53  -0.11250  1.0 3.0
   79    48    52    54  -0.11250  1.0 3.0
   79    48    52    58  -0.09450  1.0 1.0
   79    48    52    58  -1.12950 -1.0 2.0
   79    48    52    58   0.54000  1.0 3.0
   80    79    48    44   0.30150 -1.0 2.0
   80    79    48    63   0.30150 -1.0 2.0
   80    79    48    52   0.30150 -1.0 2.0
   48    44    46    39   0.56750  1.0 1.0
   48    44    46    39  -0.07550 -1.0 2.0
   48    44    46    39   0.20000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    49   0.56750  1.0 1.0
   48    44    46    49  -0.07550 -1.0 2.0
   48    44    46    49   0.20000  1.0 3.0
   48    63    73    74   0.15000  1.0 3.0
   48    63    73    75   0.15000  1.0 3.0
   48    63   -73    76   0.56750  1.0 1.0
   48    63   -73    76  -0.07550 -1.0 2.0
   48    63   -73    76   0.20000  1.0 3.0
   48    52    58    61  -0.25900  1.0 1.0
   48    52    58    61  -0.47000 -1.0 2.0
   48    52    58    61   0.11750  1.0 3.0
   52    58    61    62   3.00000 -1.0 2.0
   52    58    61    65   1.63150  1.0 1.0
   52    58    61    65   2.92000 -1.0 2.0
   53    52    58    61   0.08050  1.0 3.0
   54    52    58    61   0.08050  1.0 3.0
   58    61    65    66   0.00000  1.0 1.0
   58    61    65    67   0.00000  1.0 1.0
   58    61    65    68   0.00000  1.0 1.0
   62    61    65    66   0.00000  1.0 1.0
   62    61    65    67   0.00000  1.0 1.0
   62    61    65    68   0.00000  1.0 1.0
   69    59    63    64   0.15000  1.0 3.0
   69    59    63    73   0.56750  1.0 1.0
   69    59    63    73  -0.07550 -1.0 2.0
   69    59    63    73   0.20000  1.0 3.0
   69    59    63    48   0.56750  1.0 1.0
   69    59    63    48  -0.07550 -1.0 2.0
   69    59    63    48   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   76    48    79    80  10.50000 -1.0 2.0
   58    65    61    62  10.50000 -1.0 2.0
END
