* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    146    204     414
    1     0 S   NP   _N1_     1    28.94230    97.24758   -22.56880
    2     1 S   H    _HN1     2     1.02783   110.22076  -127.46682
    3     1 S   H    _H1_     3     1.02946    67.58388   -25.25713
    4     1 S   H    _H2_     4     1.02827    41.04738   138.21467
    5     1 S   CT   _CA1     5     1.50139   135.37481    71.58437
    6     5 S   HC   _HA1     6     1.09573   105.17378    99.40156
    7     5 S   CO3  _C1_     7     1.53786   112.29172   -20.80877
    8     7 S   O2Z  _O11     8     1.26386   114.98737   -44.77400
    9     7 S   O2Z  _O12     9     1.26218   114.95402   134.08445
   10     5 S   CT   _CB1    10     1.53063   107.39886  -142.63900
   11    10 S   HC   HB11    11     1.09838   109.41825   -49.02548
   12    10 S   HC   HB12    12     1.09808   110.47201    67.59407
   13    10 S   CT   _CG1    13     1.52996   112.58188  -169.92442
   14    13 S   HC   HG11    14     1.09578   110.71476   -65.86991
   15    13 S   HC   HG12    15     1.09675   109.75696    53.34763
   16    13 S   C    _CD1    16     1.51806   112.02524   173.87865
   17    16 S   O    _OE1    17     1.22767   123.34905    11.23978
   18    16 S   N    _N2_    18     1.38507   111.80515  -168.80330
   19    18 S   H    _HN2    19     1.01795   119.13473    -3.13169
   20    18 S   CT1  _CA2    20     1.46121   122.84599   179.74359
   21    20 S   HC   _HA2    21     1.09722   108.27572    36.92354
   22    20 S   C    _C2_    22     1.53232   110.22535   -79.87721
   23    22 S   O    _O2_    23     1.23130   121.05736   159.92059
   24    20 S   CT   _CB2    32     1.53245   111.49398   159.71842
   25    24 S   HC   HB21    33     1.09414   109.58545    59.43127
   26    24 S   HC   HB22    34     1.09544   110.47986   177.28971
   27    22 S   N    _N3_    24     1.38112   114.57078   -26.60091
   28    27 S   H    _HN3    25     1.01632   119.33900     3.37301
   29    24 S   S    _SG2    35     1.82946   110.85295   -63.31866
   30    27 S   CT   _CA3    26     1.45232   123.23845  -178.70532
   31    30 S   HC   HA31    27     1.09560   108.08626   -47.95214
   32    30 S   HC   HA32    28     1.09524   107.47819    68.50126
   33    29 S   CT   _C9_    36     1.85097   101.44996   139.52109
   34    33 S   OM   _O35    37     1.32075   108.35944  -173.91005
   35    30 S   CO3  _C3_    29     1.52932   114.02540  -170.06051
   36    35 S   O2Z  _O31    30     1.26363   116.05926    -4.00389
   37    35 S   O2Z  _O32    31     1.26421   114.44159   176.17807
   38    33 S   CO4  _C10    38     1.53486   109.92490   -59.50846
   39    38 S   O    _O34    39     1.23516   122.52179   -28.13215
   40    38 S   CM   _C5_    40     1.51542   118.93667   153.63666
   41    40 S   CM   _C6_    41     1.34939   121.63060    -2.38072
   42    40 S   CT   _C4_    78     1.50570   113.41935   176.90819
   43    42 S   HC   _H4_    79     1.09505   110.21157   -66.11036
   44    42 S   HC   _H5_    80     1.09027   113.72247   172.84815
   45    42 S   HC   _H6_    81     1.09585   110.34647    53.69374
   46    41 S   CO4  _C7_    42     1.50320   119.47144    -3.82684
   47    46 S   O    _O33    43     1.23018   120.58359   162.92184
   48    41 S   CT   _C12    51     1.51512   125.55159   175.24103
   49    48 S   HC   _H10    52     1.09777   109.58592  -135.56358
   50    48 S   HC   _H11    53     1.09155   111.28402   -21.60248
   51    33 S   CT   _C8_    44     1.53866   110.79028    62.55671
   52    51 S   HC   _H3_    45     1.09976   109.97778   -58.83391
   53    48 S   CM   _C13    54     1.50475   111.48529   104.70086
   54    53 S   HC   _H12    55     1.09076   114.00524    64.57845
   55    51 S   OS   _O36    46     1.42850   111.63139    62.57821
   56    53 S   CM   _C14    56     1.34743   128.84230  -114.91523
   57    55 S   CT   _C11    47     1.42123   113.14514  -147.88338
   58    57 S   HC   _H7_    48     1.09324   108.27730  -177.09155
   59    57 S   HC   _H8_    49     1.09434   110.23972    64.42104
   60    57 S   HC   _H9_    50     1.09377   111.13401   -57.87517
   61    56 S   CT   _C15    57     1.50264   125.38214    -2.05985
   62    61 S   HC   _H13    58     1.09422   110.43428   114.61452
   63    61 S   HC   _H14    59     1.09105   113.60178    -6.48661
   64    61 S   HC   _H15    60     1.09543   110.03723  -125.88569
   65    56 S   CT   _C16    61     1.51817   119.45757   178.71702
   66    65 S   HC   _H16    62     1.09845   108.80953    46.41076
   67    65 S   HC   _H17    63     1.09775   110.08768   161.25547
   68    65 S   CT   _C17    64     1.53537   113.95564   -74.77841
   69    68 S   HC   _H18    65     1.09395   110.16389    60.04854
   70    68 S   HC   _H19    66     1.09765   108.20236   174.74454
   71    68 S   CM   _C18    67     1.50326   113.07984   -66.48507
   72    71 S   HC   _H20    68     1.08967   113.96281   -66.80107
   73    71 S   CM   _C19    69     1.34682   128.05244   114.32867
   74    73 S   CT   _C20    70     1.50573   120.22076   178.67943
   75    74 S   HC   _H21    71     1.09491   110.37686   122.61299
   76    74 S   HC   _H22    72     1.09509   112.44762     2.53767
   77    74 S   HC   _H23    73     1.09414   110.01874  -117.38986
   78    73 S   CT   _C21    74     1.50275   125.49305    -1.61641
   79    78 S   HC   _H24    75     1.09472   110.09084   113.62358
   80    78 S   HC   _H25    76     1.09518   110.05740  -127.20478
   81    78 S   HC   _H26    77     1.09170   113.66003    -7.43099
  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   9   5   4   3
  12   7   2   1   1  12   4  12  15   5   2   1   1   9   4   8
   4   3   6   2  10   3   4  11   3   2   1   1   7   3   2   1
   8   5   4   7   4   3  10   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    51    52    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    51    52    55    57    42  
   38    39    40    46    51    52    55  
   36    37  
   37  
    0  
   39    40    41    46    51    52    55    48    42    43    44    45  
   40    41    51    42  
   41    46    47    51    48    49    50    53    42    43    44    45  
   46    47    51    52    55    48    49    50    53    54    56    42    43    44    45  
   43    44    45    46    48  
   44    45  
   45  
    0  
   47    51    52    55    57    48    49    50    53  
   51    52    55    48  
   49    50    53    54    56    61    65    51  
   50    53    54    56  
   53    54    56  
   52    55    57    58    59    60  
   55    57  
   54    56    61    62    63    64    65    66    67    68  
   56    61    65  
   57    58    59    60  
   61    62    63    64    65    66    67    68    69    70    71  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    78  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77    78    79    80    81  
   73    74    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.522
   33    51   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    42   317.000  1.510
   41    46   320.000  1.462
   41    48   317.000  1.510
   46    47   570.000  1.229
   46    51   317.000  1.522
   51    52   340.000  1.090
   51    55   320.000  1.410
   55    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   317.000  1.510
   53    54   340.000  1.080
   53    56   549.000  1.340
   56    61   317.000  1.510
   56    65   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    51    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    51    46    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    55    50.00000  109.50000
   38    33    34    90.00000  108.74100
   38    40    41    65.00000  118.96000
   38    40    42    65.00000  116.34900
   40    38    39    80.00000  123.72100
   40    41    46    65.00000  118.96000
   40    41    48    70.00000  124.00000
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    35.00000  109.50000
   41    46    47    80.00000  123.72100
   41    46    51    65.00000  118.62400
   41    48    49    35.00000  109.50000
   41    48    50    35.00000  109.50000
   41    48    53    70.00000  110.12100
   46    51    52    35.00000  109.50000
   46    51    55    90.00000  108.74100
   51    33    34    50.00000  109.50000
   51    33    38    63.00000  111.10000
   51    46    47    80.00000  120.40000
   51    55    57    60.00000  109.50000
   55    51    52    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   48    41    46    65.00000  116.34900
   48    53    54    35.00000  117.00000
   48    53    56    70.00000  124.00000
   50    48    49    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    35.00000  109.50000
   53    56    61    70.00000  124.00000
   53    56    65    70.00000  124.00000
   56    53    54    35.00000  120.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    35.00000  109.50000
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    68    70.00000  112.02700
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    56    61    65.00000  117.92700
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    70.00000  112.02700
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    35.00000  117.00000
   68    71    73    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    78    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   42    40    41    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    51    46   0.56750  1.0 1.0
   29    33    51    46  -0.07550 -1.0 2.0
   29    33    51    46   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55   0.56750  1.0 1.0
   29    33    51    55  -0.07550 -1.0 2.0
   29    33    51    55   0.20000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    42   0.25700  1.0 1.0
   33    38    40    42   0.66200 -1.0 2.0
   33    38    40    42   0.04450  1.0 3.0
   33    51    55    57   0.06250  1.0 1.0
   33    51    55    57  -0.01100 -1.0 2.0
   33    51    55    57   0.28050  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    40   0.65300  1.0 1.0
   34    33    38    40  -0.03850 -1.0 2.0
   34    33    38    40   0.33900  1.0 3.0
   34    33    51    46  -0.09450  1.0 1.0
   34    33    51    46  -1.12950 -1.0 2.0
   34    33    51    46   0.54000  1.0 3.0
   34    33    51    52   0.23400  1.0 3.0
   34    33    51    55   1.11900  1.0 1.0
   34    33    51    55  -1.16350 -1.0 2.0
   34    33    51    55  -0.34150  1.0 3.0
   38    33    51    46   0.11950  1.0 1.0
   38    33    51    46   0.20300 -1.0 2.0
   38    33    51    46  -0.70800  1.0 3.0
   38    33    51    52  -0.11250  1.0 3.0
   38    33    51    55  -0.09450  1.0 1.0
   38    33    51    55  -1.12950 -1.0 2.0
   38    33    51    55   0.54000  1.0 3.0
   38    40   -41    46   7.00000 -1.0 2.0
   38    40    41    48   7.00000 -1.0 2.0
   38    40    42    43   0.15000  1.0 3.0
   38    40    42    44   0.15000  1.0 3.0
   38    40    42    45   0.15000  1.0 3.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    42  -0.64400  1.0 1.0
   39    38    40    42   0.26850 -1.0 2.0
   40    41    46    47   1.00000 -1.0 2.0
   40    41    46    51  -0.33500  1.0 1.0
   40    41    46    51   1.06600 -1.0 2.0
   40    41    46    51  -0.14000  1.0 3.0
   40    41    48    49   0.00000  1.0 1.0
   40    41    48    50   0.00000  1.0 1.0
   40    41    48    53  -0.28300  1.0 1.0
   40    41    48    53   0.26700 -1.0 2.0
   40    41    48    53  -0.63300  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.00000  1.0 1.0
   41    46   -51    33   0.65300  1.0 1.0
   41    46   -51    33  -0.03850 -1.0 2.0
   41    46   -51    33   0.33900  1.0 3.0
   41    46    51    52   0.00000  1.0 1.0
   41    46    51    55   0.65300  1.0 1.0
   41    46    51    55  -0.03850 -1.0 2.0
   41    46    51    55   0.33900  1.0 3.0
   41    48    53    54   0.00000  1.0 1.0
   41    48    53    56  -0.28300  1.0 1.0
   41    48    53    56   0.26700 -1.0 2.0
   41    48    53    56  -0.63300  1.0 3.0
   46    41    48    49   0.15000  1.0 3.0
   46    41    48    50   0.15000  1.0 3.0
   46    41    48    53   0.09700  1.0 1.0
   46    41    48    53   0.15600 -1.0 2.0
   46    41    48    53  -0.50800  1.0 3.0
   46    51    55    57  -1.11000  1.0 1.0
   46    51    55    57   0.50250 -1.0 2.0
   46    51    55    57   0.47450  1.0 3.0
   47    46    51    33   0.30150 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    55   0.30150 -1.0 2.0
   51    33    38    39   0.30150 -1.0 2.0
   51    33   -38    40   0.65300  1.0 1.0
   51    33   -38    40  -0.03850 -1.0 2.0
   51    33   -38    40   0.33900  1.0 3.0
   51    55    57    58   0.37050  1.0 3.0
   51    55    57    59   0.37050  1.0 3.0
   51    55    57    60   0.37050  1.0 3.0
   52    51    55    57   0.37050  1.0 3.0
   48    41    46    47  -0.64400  1.0 1.0
   48    41    46    47   0.26850 -1.0 2.0
   48    41    46    51   0.25700  1.0 1.0
   48    41    46    51   0.66200 -1.0 2.0
   48    41    46    51   0.04450  1.0 3.0
   48    53    56    61   7.00000 -1.0 2.0
   48    53    56    65   7.00000 -1.0 2.0
   49    48    53    54   0.33100  1.0 3.0
   49    48    53    56   0.00000  1.0 1.0
   50    48    53    54   0.33100  1.0 3.0
   50    48    53    56   0.00000  1.0 1.0
   53    56    61    62   0.00000  1.0 1.0
   53    56    61    63   0.00000  1.0 1.0
   53    56    61    64   0.00000  1.0 1.0
   53    56    65    66   0.00000  1.0 1.0
   53    56    65    67   0.00000  1.0 1.0
   53    56    65    68   0.09850  1.0 1.0
   53    56    65    68   0.15250 -1.0 2.0
   53    56    65    68  -0.50650  1.0 3.0
   54    53    56    61   7.00000 -1.0 2.0
   54    53    56    65   7.00000 -1.0 2.0
   56    65    68    69   0.15000  1.0 3.0
   56    65    68    70   0.15000  1.0 3.0
   56    65    68    71   0.31000  1.0 1.0
   56    65    68    71   0.14700 -1.0 2.0
   56    65    68    71   0.07550  1.0 3.0
   61    56    65    66   0.34800  1.0 3.0
   61    56    65    67   0.34800  1.0 3.0
   61    56    65    68   0.46850  1.0 1.0
   61    56    65    68   0.08550 -1.0 2.0
   61    56    65    68   0.09800  1.0 3.0
   65    56    61    62   0.34800  1.0 3.0
   65    56    61    63   0.34800  1.0 3.0
   65    56    61    64   0.34800  1.0 3.0
   65    68    71    72   0.00000  1.0 1.0
   65    68    71    73   0.09850  1.0 1.0
   65    68    71    73   0.15250 -1.0 2.0
   65    68    71    73  -0.50650  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    73    74   7.00000 -1.0 2.0
   68    71    73    78   7.00000 -1.0 2.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.33100  1.0 3.0
   70    68    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    77   0.00000  1.0 1.0
   71    73    78    79   0.00000  1.0 1.0
   71    73    78    80   0.00000  1.0 1.0
   71    73    78    81   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    78   7.00000 -1.0 2.0
   74    73    78    79   0.34800  1.0 3.0
   74    73    78    80   0.34800  1.0 3.0
   74    73    78    81   0.34800  1.0 3.0
   78    73    74    75   0.34800  1.0 3.0
   78    73    74    76   0.34800  1.0 3.0
   78    73    74    77   0.34800  1.0 3.0
   42    40    41    46   7.00000 -1.0 2.0
   42    40    41    48   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
   33    40    38    39  10.50000 -1.0 2.0
   38    42    40    41   1.10000 -1.0 2.0
   46    48    41    40   1.10000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
   48    54    53    56  15.00000 -1.0 2.0
   61    65    56    53  15.00000 -1.0 2.0
   68    72    71    73  15.00000 -1.0 2.0
   74    78    73    71  15.00000 -1.0 2.0
END
