* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    153    246     459
    1     0 S   NP   _N1_     1    28.93885    95.94620   -20.58365
    2     1 S   H    _HN1     2     1.02965    89.29289    35.36111
    3     1 S   H    _H1_     3     1.02848    40.84495   153.15622
    4     1 S   H    _H2_     4     1.02796    79.50784   -73.26735
    5     1 S   CT   _CA1     5     1.50059   150.85256   169.76603
    6     5 S   HC   _HA1     6     1.09581   105.34713    48.10432
    7     5 S   CO3  _C1_     7     1.53794   112.06960   -72.10067
    8     7 S   O2Z  _O11     8     1.26381   115.13635   -56.19027
    9     7 S   O2Z  _O12     9     1.26219   114.99646   123.29862
   10     5 S   CT   _CB1    10     1.53108   107.39408   165.77979
   11    10 S   HC   HB11    11     1.09818   109.47582   -52.53076
   12    10 S   HC   HB12    12     1.09830   110.43018    63.99868
   13    10 S   CT   _CG1    13     1.52987   112.51377  -173.68459
   14    13 S   HC   HG11    14     1.09617   110.27361   -58.22497
   15    13 S   HC   HG12    15     1.09613   110.23784    60.95078
   16    13 S   C    _CD1    16     1.51767   112.03458  -178.70321
   17    16 S   O    _OE1    17     1.22726   123.17569   -13.78821
   18    16 S   N    _N2_    18     1.38551   111.65080   166.66873
   19    18 S   H    _HN2    19     1.01577   119.06245     2.41751
   20    18 S   CT1  _CA2    20     1.46210   123.43454  -175.14284
   21    20 S   HC   _HA2    21     1.09723   109.44662   -14.14675
   22    20 S   C    _C2_    22     1.53419   108.65875  -130.08243
   23    22 S   O    _O2_    23     1.23044   122.37590  -146.94312
   24    20 S   CT   _CB2    32     1.53394   110.74926   107.78254
   25    24 S   HC   HB21    33     1.09599   109.44695    53.44285
   26    24 S   HC   HB22    34     1.09487   110.63313   172.31390
   27    22 S   N    _N3_    24     1.38520   113.38775    40.70599
   28    27 S   H    _HN3    25     1.01527   118.95260    -0.55813
   29    24 S   S    _SG2    35     1.83131   111.70020   -67.99401
   30    27 S   CT   _CA3    26     1.45414   123.16466   175.08430
   31    30 S   HC   HA31    27     1.09542   108.99119    30.14037
   32    30 S   HC   HA32    28     1.09491   107.23239   147.07494
   33    29 S   CT   _C10    36     1.84300    99.89108   153.46662
   34    33 S   HC   _H3_    37     1.09354   104.03288   -60.10291
   35    30 S   CO3  _C3_    29     1.52907   113.07382   -93.14580
   36    35 S   O2Z  _O31    30     1.26399   115.33217   -48.05507
   37    35 S   O2Z  _O32    31     1.26348   115.02626   132.81107
   38    33 S   CA   _C9_    38     1.51947   113.01078    57.11433
   39    33 S   CM   _C11    71     1.51484   108.35678  -178.04896
   40    39 S   HC   _H13    72     1.09320   114.08740   -64.29001
   41    38 S   CA   _C4_    39     1.40451   119.33878  -125.50136
   42    41 S   HA   _H9_    40     1.08756   120.39217    -1.69327
   43    39 S   CMA  _C12    73     1.35872   129.87345   116.27875
   44    43 S   OM   _O35    74     1.26637   126.81572   178.86220
   45    41 S   CA   _C5_    41     1.39532   120.76184   177.01017
   46    45 S   HA   _H10    42     1.08645   119.68438  -178.48651
   47    43 S   CA   _C13    75     1.49627   114.30504    -0.51282
   48    45 S   CA   _C6_    43     1.39354   119.86714    -0.72766
   49    47 S   CA   _C14    76     1.40700   118.97858    89.97133
   50    49 S   HA   _H14    77     1.08779   120.23642     0.25869
   51    48 S   CA   _C7_    44     1.39453   120.14977     3.82316
   52    51 S   HA   _H11    45     1.08547   121.21725   177.17936
   53    48 S   OS   _O36    48     1.37131   116.98601  -176.76166
   54    49 S   CA   _C15    78     1.39566   120.63766  -179.51584
   55    54 S   HA   _H15    79     1.08605   119.83379   179.80021
   56    38 S   CA   _C8_    46     1.40467   122.17393    54.20870
   57    56 S   HA   _H12    47     1.08743   120.52904     2.14977
   58    53 S   CO   _C19    49     1.44406   112.79021   125.95746
   59    58 S   HC   _H4_    50     1.09816   108.58251    71.64716
   60    54 S   CA   _C16    80     1.39166   119.62172    -0.25023
   61    58 S   CT   _C20    51     1.53513   107.38518  -169.99818
   62    61 S   HC   _H5_    52     1.09680   109.89139    53.15067
   63    60 S   CA   _C17    81     1.39310   120.94314    -0.10087
   64    63 S   HA   _H16    82     1.08572   120.24375  -180.00000
   65    60 S   OH   _O34    86     1.36698   118.14992   179.90721
   66    65 S   HO   _H18    87     0.97276   108.45374   179.52812
   67    61 S   CT   _C21    53     1.53301   111.26981   175.02783
   68    67 S   HC   _H6_    54     1.09671   110.15852    74.03109
   69    61 S   OH   _O41    69     1.42921   109.98721   -63.52207
   70    69 S   HO   _H24    70     0.97230   108.25673   -62.48932
   71    47 S   CA   _C18    83     1.40715   122.39202   -90.04924
   72    67 S   CT   _C22    55     1.53337   111.63912   -48.64785
   73    72 S   HC   _H7_    56     1.09699   109.05349   -71.63702
   74    67 S   OH   _O40    67     1.42954   109.57039  -170.22537
   75    74 S   HO   _H23    68     0.97243   108.12091    61.23433
   76    71 S   OH   _O33    84     1.37061   119.67965    -0.06256
   77    76 S   HO   _H17    85     0.97556   109.06662  -172.86304
   78    72 S   CT   _C23    57     1.53103   110.52724    49.56498
   79    78 S   HC   _H8_    58     1.09831   111.02331    63.98243
   80    72 S   OH   _O39    65     1.42561   109.73720   171.45923
   81    80 S   HO   _H22    66     0.97250   108.22336   -58.74441
   82    58 S   OS   _O37    59     1.43106   111.60961   -50.34389
   83    78 S   CT   _C24    60     1.52973   112.07416  -174.72133
   84    83 S   HC   _H19    61     1.09522   110.89674    69.16391
   85    83 S   HC   _H20    62     1.09368   111.79831   -53.40837
   86    83 S   OH   _O38    63     1.42554   108.69026  -172.36552
   87    86 S   HO   _H21    64     0.97436   107.27965  -167.90142
  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   8   5   4   3
  13   6   2   1   1  12   8   3   8   4   8   3   7   3  10   9
   8   4   5   3   9   7   3   1   1  13   6   6  12   7   6   3
   2   1  13   7   4   1   2  12   7   3   1   1   1   9   6   3
   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    56    57    39    40    43    44    47  
   38    41    56    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    52    56    57    39    40    43  
   40    43    44    47    49    71    41    56  
   43    44    47  
   42    45    46    48    51    56    57    53  
   45    46    48    56  
   44    47    49    50    54    63    71    76  
   47    49    71  
   46    48    51    52    56    53    58  
   48    51    53  
   49    50    54    55    60    63    64    71    76    77  
   51    52    56    57    53    58    59    61    82  
   50    54    55    60    63    71    76    65  
   54    55    60    71  
   52    56    57    53    58  
   56    57    53  
   58    59    61    62    67    78    82    69    56  
   55    60    63    64    71    65    66  
   60    63    65  
   57  
    0  
   59    61    62    67    68    72    78    79    82    83    74    69    70  
   61    62    67    78    82    69  
   63    64    71    76    65    66  
   62    67    68    72    73    78    82    80    74    75    69    70  
   67    68    72    82    74    69    70  
   64    71    76    77    65    66  
   71    76    65  
   66    71  
    0  
   68    72    73    78    79    82    83    80    81    74    75    69    70  
   72    73    78    80    74    75    69  
   70    72    74    82  
    0  
   76    77  
   73    78    79    82    83    84    85    86    80    81    74    75  
   78    79    82    83    80    81    74  
   75    78    80  
    0  
   77  
    0  
   79    82    83    84    85    86    87    80    81  
   82    83    84    85    86    80  
   81    82    83  
    0  
   83    84    85    86  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    53   450.000  1.364
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   53    58   320.000  1.380
   58    59   340.000  1.090
   58    61   250.000  1.527
   58    82   320.000  1.380
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    69   320.000  1.410
   67    68   340.000  1.090
   67    72   268.000  1.529
   67    74   320.000  1.410
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    80   320.000  1.410
   78    79   340.000  1.090
   78    82   320.000  1.410
   78    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   320.000  1.410
   86    87   553.000  0.945
   80    81   553.000  0.945
   74    75   553.000  0.945
   69    70   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   320.000  1.460
   47    49   469.000  1.400
   47    71   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    63   469.000  1.400
   60    65   450.000  1.364
   63    64   367.000  1.080
   63    71   469.000  1.400
   71    76   450.000  1.364
   76    77   553.000  0.945
   65    66   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    56    51    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    53    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    53    58   100.00000  112.36700
   51    56    57    35.00000  120.00000
   56    38    41    63.00000  120.00000
   56    51    52    35.00000  120.00000
   53    48    51    70.00000  120.00000
   53    58    59    35.00000  109.50000
   53    58    61    90.00000  108.56700
   53    58    82    92.60000  111.55000
   58    61    62    45.00000  108.72000
   58    61    67    75.00000  109.43000
   58    61    69    90.00000  111.58700
   58    82    78    60.00000  109.50000
   61    58    59    45.00000  112.01100
   61    67    68    37.50000  110.70000
   61    67    72    58.35000  112.70000
   61    67    74    50.00000  109.50000
   61    69    70    55.00000  108.50000
   67    61    62    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    78    58.35000  112.70000
   67    72    80    50.00000  109.50000
   67    74    75    55.00000  108.50000
   72    67    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    82    50.00000  109.50000
   72    78    83    58.35000  112.70000
   72    80    81    55.00000  108.50000
   78    72    73    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    50.00000  109.50000
   82    58    59    35.00000  109.50000
   82    58    61    90.00000  108.56700
   82    78    79    35.00000  109.50000
   83    78    79    37.50000  110.70000
   83    78    82    50.00000  109.50000
   83    86    87    55.00000  108.50000
   85    83    84    33.00000  107.80000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   80    72    73    35.00000  109.50000
   80    72    78    50.00000  109.50000
   74    67    68    35.00000  109.50000
   74    67    72    50.00000  109.50000
   69    61    62    35.00000  109.50000
   69    61    67    50.00000  109.50000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    60.00000  123.20500
   43    39    40    40.00000  120.50800
   43    47    49    60.00000  120.93500
   43    47    71    60.00000  120.93500
   47    43    44    85.00000  114.86500
   47    49    50    35.00000  120.00000
   47    49    54    63.00000  120.00000
   47    71    63    63.00000  120.00000
   47    71    76    70.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    60    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    60    63    63.00000  120.00000
   54    60    65    70.00000  120.00000
   60    54    55    35.00000  120.00000
   60    63    64    35.00000  120.00000
   60    63    71    63.00000  120.00000
   60    65    66    35.00000  113.00000
   63    71    76    70.00000  120.00000
   71    47    49    63.00000  120.00000
   71    63    64    35.00000  120.00000
   71    76    77    35.00000  113.00000
   65    60    63    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    56    51   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    56    51   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    53   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    56   3.62500 -1.0 2.0
   45    48    53    58   1.63200 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    53   3.62500 -1.0 2.0
   48    51   -56    38   3.62500 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   48    53    58    59   0.08050  1.0 3.0
   48    53    58    61  -0.32850  1.0 1.0
   48    53    58    61  -0.35800 -1.0 2.0
   48    53    58    61   0.33950  1.0 3.0
   48    53    58    82  -0.25600  1.0 1.0
   48    53    58    82  -0.40050 -1.0 2.0
   48    53    58    82   0.34700  1.0 3.0
   51    48    53    58   1.63200 -1.0 2.0
   52    51    56    38   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   53    48    51    52   3.62500 -1.0 2.0
   53    48    51    56   3.62500 -1.0 2.0
   53    58    61    62   0.23400  1.0 3.0
   53    58    61    67   0.62750  1.0 1.0
   53    58    61    67  -0.30950 -1.0 2.0
   53    58    61    67   0.27300  1.0 3.0
   53    58    61    69   3.69350  1.0 1.0
   53    58    61    69  -1.82950 -1.0 2.0
   53    58    82    78  -0.81800  1.0 1.0
   58    61    67    68   0.15000  1.0 3.0
   58    61    67    72   3.97050  1.0 1.0
   58    61    67    74   0.86500  1.0 1.0
   58    61    67    74  -0.17500 -1.0 2.0
   58    61    67    74   0.20800  1.0 3.0
   58    61    69    70  -0.11600  1.0 1.0
   58    61    69    70  -0.09450 -1.0 2.0
   58    61    69    70   0.21250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    67   0.15000  1.0 3.0
   59    58    61    69   0.23400  1.0 3.0
   59    58    82    78   0.37050  1.0 3.0
   61    58    82    78   0.06250  1.0 1.0
   61    58    82    78  -0.01100 -1.0 2.0
   61    58    82    78   0.28050  1.0 3.0
   61    67    72    73   0.15000  1.0 3.0
   61    67   -72    78   0.56750  1.0 1.0
   61    67   -72    78  -0.07550 -1.0 2.0
   61    67   -72    78   0.20000  1.0 3.0
   61    67    72    80   0.86500  1.0 1.0
   61    67    72    80  -0.17500 -1.0 2.0
   61    67    72    80   0.20800  1.0 3.0
   61    67    74    75  -0.11600  1.0 1.0
   61    67    74    75  -0.09450 -1.0 2.0
   61    67    74    75   0.21250  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    72   0.15000  1.0 3.0
   62    61    67    74   0.23400  1.0 3.0
   62    61    69    70   0.19450  1.0 3.0
   67    61    69    70  -0.11600  1.0 1.0
   67    61    69    70  -0.09450 -1.0 2.0
   67    61    69    70   0.21250  1.0 3.0
   67    72    78    79   0.15000  1.0 3.0
   67    72    78    82   0.62750  1.0 1.0
   67    72    78    82  -0.30950 -1.0 2.0
   67    72    78    82   0.27300  1.0 3.0
   67    72    78    83   0.56750  1.0 1.0
   67    72    78    83  -0.07550 -1.0 2.0
   67    72    78    83   0.20000  1.0 3.0
   67    72    80    81  -0.11600  1.0 1.0
   67    72    80    81  -0.09450 -1.0 2.0
   67    72    80    81   0.21250  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    78   0.15000  1.0 3.0
   68    67    72    80   0.23400  1.0 3.0
   68    67    74    75   0.19450  1.0 3.0
   72    67    74    75  -0.11600  1.0 1.0
   72    67    74    75  -0.09450 -1.0 2.0
   72    67    74    75   0.21250  1.0 3.0
   72    78   -82    58   0.06250  1.0 1.0
   72    78   -82    58  -0.01100 -1.0 2.0
   72    78   -82    58   0.28050  1.0 3.0
   72    78    83    84   0.15000  1.0 3.0
   72    78    83    85   0.15000  1.0 3.0
   72    78    83    86   0.86500  1.0 1.0
   72    78    83    86  -0.17500 -1.0 2.0
   72    78    83    86   0.20800  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    82   0.23400  1.0 3.0
   73    72    78    83   0.15000  1.0 3.0
   73    72    80    81   0.19450  1.0 3.0
   78    72    80    81  -0.11600  1.0 1.0
   78    72    80    81  -0.09450 -1.0 2.0
   78    72    80    81   0.21250  1.0 3.0
   78    83    86    87  -0.11600  1.0 1.0
   78    83    86    87  -0.09450 -1.0 2.0
   78    83    86    87   0.21250  1.0 3.0
   79    78    82    58   0.37050  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.23400  1.0 3.0
   82    58    61    62   0.23400  1.0 3.0
   82    58   -61    67   0.62750  1.0 1.0
   82    58   -61    67  -0.30950 -1.0 2.0
   82    58   -61    67   0.27300  1.0 3.0
   82    58    61    69   3.69350  1.0 1.0
   82    58    61    69  -1.82950 -1.0 2.0
   82    78    83    84   0.23400  1.0 3.0
   82    78    83    85   0.23400  1.0 3.0
   82    78    83    86   3.69350  1.0 1.0
   82    78    83    86  -1.82950 -1.0 2.0
   83    78    82    58   0.06250  1.0 1.0
   83    78    82    58  -0.01100 -1.0 2.0
   83    78    82    58   0.28050  1.0 3.0
   84    83    86    87   0.19450  1.0 3.0
   85    83    86    87   0.19450  1.0 3.0
   80    72    78    79   0.23400  1.0 3.0
   80    72    78    82   3.69350  1.0 1.0
   80    72    78    82  -1.82950 -1.0 2.0
   80    72    78    83   0.86500  1.0 1.0
   80    72    78    83  -0.17500 -1.0 2.0
   80    72    78    83   0.20800  1.0 3.0
   74    67    72    73   0.23400  1.0 3.0
   74    67    72    78   0.86500  1.0 1.0
   74    67    72    78  -0.17500 -1.0 2.0
   74    67    72    78   0.20800  1.0 3.0
   74    67    72    80   3.75450  1.0 1.0
   69    61    67    68   0.23400  1.0 3.0
   69    61    67    72   0.86500  1.0 1.0
   69    61    67    72  -0.17500 -1.0 2.0
   69    61    67    72   0.20800  1.0 3.0
   69    61    67    74   3.75450  1.0 1.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    56   0.18050 -1.0 2.0
   39    43    47    49   0.15800  1.0 1.0
   39    43    47    49   1.85350 -1.0 2.0
   39    43    47    49  -0.48700  1.0 3.0
   39    43    47    71   0.15800  1.0 1.0
   39    43    47    71   1.85350 -1.0 2.0
   39    43    47    71  -0.48700  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   3.62500 -1.0 2.0
   43    47    49    54   3.62500 -1.0 2.0
   43    47    71    63   3.62500 -1.0 2.0
   43    47    71    76   3.62500 -1.0 2.0
   44    43    47    49  -0.01750  1.0 1.0
   44    43    47    49  -0.32000 -1.0 2.0
   44    43    47    49   0.00600  1.0 3.0
   44    43    47    71  -0.01750  1.0 1.0
   44    43    47    71  -0.32000 -1.0 2.0
   44    43    47    71   0.00600  1.0 3.0
   47    49    54    55   3.62500 -1.0 2.0
   47    49    54    60   3.62500 -1.0 2.0
   47    71    76    77   0.84100 -1.0 2.0
   49    47    71    63   3.62500 -1.0 2.0
   49    47    71    76   3.62500 -1.0 2.0
   49    54   -60    63   3.62500 -1.0 2.0
   49    54    60    65   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    60   3.62500 -1.0 2.0
   54    60    63    64   3.62500 -1.0 2.0
   54    60    63    71   3.62500 -1.0 2.0
   54    60    65    66   0.84100 -1.0 2.0
   55    54    60    63   3.62500 -1.0 2.0
   55    54    60    65   3.62500 -1.0 2.0
   60    63   -71    47   3.62500 -1.0 2.0
   60    63    71    76   3.62500 -1.0 2.0
   63    60    65    66   0.84100 -1.0 2.0
   63    71    76    77   0.84100 -1.0 2.0
   64    63    71    47   3.62500 -1.0 2.0
   64    63    71    76   3.62500 -1.0 2.0
   71    47    49    50   3.62500 -1.0 2.0
   71    47   -49    54   3.62500 -1.0 2.0
   65    60    63    64   3.62500 -1.0 2.0
   65    60    63    71   3.62500 -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
   41    56    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    53    48    45   4.00000 -1.0 2.0
   56    52    51    48   1.10000 -1.0 2.0
   51    57    56    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   49    71    47    43   4.00000 -1.0 2.0
   54    50    49    47   1.10000 -1.0 2.0
   60    55    54    49   1.10000 -1.0 2.0
   63    65    60    54   4.00000 -1.0 2.0
   71    64    63    60   1.10000 -1.0 2.0
   63    76    71    47   4.00000 -1.0 2.0
END
