* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    161    247     476
    1     0 S   NP   _N1_     1    28.74243    97.00755   -24.97865
    2     1 S   H    _HN1     2     1.02795   118.00718   -94.74091
    3     1 S   H    _H1_     3     1.02946    66.22959     4.23905
    4     1 S   H    _H2_     4     1.02827    40.96120   179.97202
    5     1 S   CT   _CA1     5     1.50123   127.94623   102.29456
    6     5 S   HC   _HA1     6     1.09574   105.15404   102.51222
    7     5 S   CO3  _C1_     7     1.53761   112.48279   -17.69956
    8     7 S   O2Z  _O11     8     1.26377   115.00286   -42.21851
    9     7 S   O2Z  _O12     9     1.26234   114.93940   136.79366
   10     5 S   CT   _CB1    10     1.53057   107.41118  -139.50668
   11    10 S   HC   HB11    11     1.09844   109.32051   -49.22422
   12    10 S   HC   HB12    12     1.09809   110.48335    67.36847
   13    10 S   CT   _CG1    13     1.53034   112.64771  -170.14120
   14    13 S   HC   HG11    14     1.09563   110.77407   -67.98263
   15    13 S   HC   HG12    15     1.09669   109.65312    51.26336
   16    13 S   C    _CD1    16     1.51826   111.89351   171.78843
   17    16 S   O    _OE1    17     1.22757   123.11129    14.80028
   18    16 S   N    _N2_    18     1.38677   111.87029  -165.20254
   19    18 S   H    _HN2    19     1.01572   118.98872     1.08047
   20    18 S   CT1  _CA2    20     1.46192   123.29666   175.95552
   21    20 S   HC   _HA2    21     1.09725   109.01775    10.54913
   22    20 S   C    _C2_    22     1.53801   110.04161  -104.99411
   23    22 S   O    _O2_    23     1.23185   121.81259  -157.34654
   24    20 S   CT   _CB2    32     1.53276   111.40044   132.51134
   25    24 S   HC   HB21    33     1.09600   110.20367    52.56673
   26    24 S   HC   HB22    34     1.09321   110.60465   171.52764
   27    22 S   N    _N3_    24     1.38146   114.33033    29.88437
   28    27 S   H    _HN3    25     1.01523   119.58375    -3.41220
   29    24 S   S    _SG2    35     1.82316   111.60250   -68.33419
   30    27 S   CT   _CA3    26     1.45279   123.41235   177.03166
   31    30 S   HC   HA31    27     1.09546   107.56167   -63.78386
   32    30 S   HC   HA32    28     1.09553   107.95393    52.68740
   33    29 S   CT   _C11    36     1.82993    98.63308  -177.01174
   34    33 S   HC   _H3_    37     1.09471   105.75518   -49.03199
   35    30 S   CO3  _C3_    29     1.53003   113.97266   174.67399
   36    35 S   O2Z  _O31    30     1.26396   116.05977     0.57573
   37    35 S   O2Z  _O32    31     1.26420   114.42974  -179.36326
   38    33 S   CM   _C6_    38     1.52089   110.96882  -167.58192
   39    33 S   OS   _O19    50     1.42583   114.92393    65.28940
   40    38 S   CT   _C10    39     1.52647   114.90238   -88.65349
   41    40 S   HC   _H33    40     1.10228   107.02376   126.15622
   42    38 S   CMA  _C7_    81     1.36923   121.74810    90.25839
   43    42 S   OM   _O18    82     1.27023   125.24239     1.67374
   44    40 S   CT   _C8_    41     1.54798   115.99925  -112.31271
   45    44 S   HC   _H31    42     1.09555   112.86812    34.57589
   46    42 S   OS   _O27    83     1.41681   111.63224  -175.72584
   47    44 S   CM   _C4_    43     1.49621   102.22696   154.55530
   48    47 S   HC   _H30    44     1.08091   123.72514   163.36629
   49    44 S   OH   _O21    79     1.41770   111.69729   -89.51612
   50    49 S   HO   _H48    80     0.97186   107.47425   176.60108
   51    46 S   CT   _C18    84     1.42685   114.88381  -148.87100
   52    51 S   HC   _H41    85     1.09407   107.75490   172.21855
   53    51 S   HC   _H42    86     1.09531   111.08123    54.10834
   54    51 S   HC   _H43    87     1.09479   111.04871   -69.87502
   55    47 S   CM   _C5_    45     1.33901   111.66022   -17.05497
   56    40 S   CT   _C9_    46     1.54683   113.76487     7.81854
   57    56 S   HC   _H32    47     1.09722   109.48878    86.63821
   58    55 S   CT   _C19    74     1.48803   126.73338  -179.30508
   59    58 S   HC   _H44    75     1.09430   110.59399   118.21388
   60    58 S   HC   _H45    76     1.09485   111.41880    -2.40224
   61    56 S   CO   _C16    48     1.54291   114.92499   -39.36395
   62    61 S   HC   _H39    49     1.09684   109.16535   -94.47116
   63    58 S   OH   _O25    77     1.41990   109.22189  -122.05585
   64    63 S   HO   _H52    78     0.97205   107.02393  -178.23475
   65    61 S   OS1  _O28    51     1.43650   107.62613   148.88806
   66    65 S   CO1  _C17    52     1.43411   113.38916   161.75805
   67    66 S   HC   _H40    53     1.09750   108.54988    55.53137
   68    66 S   CT   _C14    54     1.53493   107.50668   175.13075
   69    68 S   HC   _H37    55     1.09692   109.70202    52.85777
   70    68 S   CT   _C12    56     1.53175   111.33962   174.58438
   71    70 S   HC   _H35    57     1.09671   110.25497    73.64946
   72    68 S   OH5  _O24    72     1.42741   110.32861   -63.77308
   73    72 S   HO   _H51    73     0.97337   108.32910   -69.04062
   74    70 S   CT   _C13    58     1.53123   111.42804   -49.01993
   75    74 S   HC   _H36    59     1.09705   109.05481   -71.65826
   76    70 S   OH5  _O22    70     1.42949   109.64781  -170.46018
   77    76 S   HO   _H49    71     0.97235   108.15065    59.80991
   78    74 S   CT   _C15    60     1.53160   110.60594    49.55025
   79    78 S   HC   _H38    61     1.09831   111.02118    64.22646
   80    74 S   OH5  _O23    68     1.42588   109.73356   171.47691
   81    80 S   HO   _H50    69     0.97258   108.21427   -57.48474
   82    66 S   OS1  _O20    62     1.43028   110.74919   -65.62145
   83    78 S   CT   _C20    63     1.52979   111.50830  -174.89600
   84    83 S   HC   _H46    64     1.09503   111.00973    69.18727
   85    83 S   HC   _H47    65     1.09398   111.54809   -53.22202
   86    83 S   OH5  _O26    66     1.42500   109.05100  -172.17858
   87    86 S   HO   _H53    67     0.97243   107.01416  -178.78824
  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
  13   5   2   1   1  15   9  17   9   8   2  10   6   4  11   4
   3   1   3   2   1   1  10   9   4   5   3   2   6   2   1   1
   8  13   6  12   7  13   7   4   1  12   7   3   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    40    61    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    56    61    62    39    65    42    43    46  
   38    40    61    39    42  
   36    37  
   37  
    0  
   40    41    44    45    47    55    56    57    61    39    49    42    43    46    51  
   65    66    42    40    55    56    57    61    62  
   41    44    45    47    48    55    56    57    61    62    65    58    49    50    42    43    46  
   44    45    47    55    56    57    61    49    42  
   43    46    51    52    53    54    44    56  
   46    51  
   45    47    48    55    56    57    61    58    49    50  
   47    48    55    56    49    50  
   51    52    53    54  
   48    55    56    57    61    58    59    60    63    49    50  
   55    56    58    49  
   50    55    56  
    0  
   52    53    54  
   53    54  
   54  
    0  
   56    57    61    62    65    58    59    60    63    64  
   57    61    62    65    66    58    59    60    63  
   61    62    65    58  
   59    60    63    64    61  
   60    63    64  
   63    64  
   62    65    66    67    68    82  
   65    66  
   64  
    0  
   66    67    68    69    70    78    82    72  
   67    68    69    70    71    74    78    79    82    83    76    72    73  
   68    69    70    78    82    72  
   69    70    71    74    75    78    82    80    76    77    72    73  
   70    71    74    82    76    72    73  
   71    74    75    78    79    82    83    80    81    76    77    72    73  
   74    75    78    80    76    77    72  
   73    74    76    82  
    0  
   75    78    79    82    83    84    85    86    80    81    76    77  
   78    79    82    83    80    81    76  
   77    78    80  
    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  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   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   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    56   268.000  1.529
   44    45   340.000  1.090
   44    47   317.000  1.510
   44    49   320.000  1.410
   47    48   340.000  1.080
   47    55   549.000  1.340
   55    56   317.000  1.510
   55    58   317.000  1.510
   56    57   340.000  1.090
   56    61   250.000  1.527
   61    62   340.000  1.090
   61    39   320.000  1.380
   61    65   320.000  1.380
   65    66   370.000  1.399
   66    67   360.000  1.097
   66    68   255.000  1.525
   66    82   370.000  1.399
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    80   355.000  1.421
   78    79   340.000  1.090
   78    82   335.000  1.422
   78    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   355.000  1.421
   86    87   580.000  0.967
   80    81   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   320.000  1.410
   63    64   553.000  0.945
   49    50   553.000  0.945
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    61    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    44    70.00000  112.02700
   38    40    56    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    46    80.00000  120.01400
   40    44    45    37.50000  110.70000
   40    44    47    70.00000  112.02700
   40    44    49    50.00000  109.50000
   40    56    55    70.00000  112.02700
   40    56    57    37.50000  110.70000
   40    56    61    75.00000  109.43000
   44    40    41    37.50000  110.70000
   44    47    48    35.00000  117.00000
   44    47    55    70.00000  124.00000
   44    49    50    55.00000  108.50000
   47    44    45    35.00000  109.50000
   47    55    56    70.00000  124.00000
   47    55    58    70.00000  124.00000
   55    47    48    35.00000  120.00000
   55    56    57    35.00000  109.50000
   55    56    61    70.00000  112.02700
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    90.00000  110.39200
   56    40    41    37.50000  110.70000
   56    40    44    58.35000  112.70000
   56    61    62    45.00000  112.01100
   56    61    39    90.00000  108.56700
   56    61    65    90.00000  108.56700
   61    56    57    45.00000  108.72000
   61    65    66    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    61    62    35.00000  109.50000
   65    61    62    35.00000  109.50000
   65    61    39    92.60000  111.55000
   65    66    67    60.00000  105.75400
   65    66    68    90.00000  109.70700
   65    66    82   110.00000  113.16000
   66    68    69    45.00000  109.54000
   66    68    70    70.00000  111.10000
   66    68    72    90.00000  109.42000
   66    82    78    90.00000  112.10700
   68    66    67    45.00000  111.65000
   68    70    71    37.50000  110.70000
   68    70    74    58.35000  112.70000
   68    70    76    90.00000  111.45300
   68    72    73    65.00000  108.53500
   70    68    69    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    58.35000  112.70000
   70    74    80    90.00000  111.45300
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    82    95.00000  107.88500
   74    78    83    58.35000  112.70000
   74    80    81    65.00000  108.53500
   78    74    75    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    90.00000  111.45300
   82    66    67    60.00000  105.75400
   82    66    68    90.00000  109.70700
   82    78    79    55.00000  108.98800
   83    78    79    37.50000  110.70000
   83    78    82    95.00000  107.88500
   83    86    87    65.00000  108.53500
   85    83    84    33.00000  107.80000
   86    83    84    60.00000  109.39000
   86    83    85    60.00000  109.39000
   80    74    75    60.00000  109.39000
   80    74    78    90.00000  111.45300
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    68    69    60.00000  109.39000
   72    68    70    90.00000  111.45300
   58    55    56    65.00000  117.92700
   58    63    64    55.00000  108.50000
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   49    44    45    35.00000  109.50000
   49    44    47    90.00000  110.39200
   42    38    40    70.00000  124.00000
   42    46    51    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    61   0.14700  1.0 1.0
   29    33    39    61  -1.16150 -1.0 2.0
   29    33    39    61   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    44   0.46850  1.0 1.0
   33    38    40    44   0.08550 -1.0 2.0
   33    38    40    44   0.09800  1.0 3.0
   33    38    40    56   0.46850  1.0 1.0
   33    38    40    56   0.08550 -1.0 2.0
   33    38    40    56   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    61   0.37050  1.0 3.0
   38    33    39    61  -0.77900  1.0 1.0
   38    33    39    61  -0.36900 -1.0 2.0
   38    33    39    61   0.40400  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    47   0.31000  1.0 1.0
   38    40    44    47   0.14700 -1.0 2.0
   38    40    44    47   0.07550  1.0 3.0
   38    40    44    49   1.05650  1.0 1.0
   38    40    44    49   0.15600 -1.0 2.0
   38    40    44    49   0.53150  1.0 3.0
   38    40    56    55   0.31000  1.0 1.0
   38    40    56    55   0.14700 -1.0 2.0
   38    40    56    55   0.07550  1.0 3.0
   38    40    56    57   0.15000  1.0 3.0
   38    40   -56    61   0.34400  1.0 1.0
   38    40   -56    61   0.09450 -1.0 2.0
   38    40   -56    61   0.11100  1.0 3.0
   38    42    46    51  -2.26850  1.0 1.0
   38    42    46    51   3.39050 -1.0 2.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    46   7.00000 -1.0 2.0
   40    44    47    48   0.00000  1.0 1.0
   40    44   -47    55   0.09850  1.0 1.0
   40    44   -47    55   0.15250 -1.0 2.0
   40    44   -47    55  -0.50650  1.0 3.0
   40    44    49    50  -0.11600  1.0 1.0
   40    44    49    50  -0.09450 -1.0 2.0
   40    44    49    50   0.21250  1.0 3.0
   40    56    61    62   0.15000  1.0 3.0
   40    56    61    39   0.62750  1.0 1.0
   40    56    61    39  -0.30950 -1.0 2.0
   40    56    61    39   0.27300  1.0 3.0
   40    56    61    65   0.62750  1.0 1.0
   40    56    61    65  -0.30950 -1.0 2.0
   40    56    61    65   0.27300  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    56    55   0.15000  1.0 3.0
   41    40    56    57   0.15000  1.0 3.0
   41    40    56    61   0.15000  1.0 3.0
   44    40   -56    55   0.34400  1.0 1.0
   44    40   -56    55   0.09450 -1.0 2.0
   44    40   -56    55   0.11100  1.0 3.0
   44    40    56    57   0.15000  1.0 3.0
   44    40    56    61   3.97050  1.0 1.0
   44    47   -55    56   7.00000 -1.0 2.0
   44    47    55    58   7.00000 -1.0 2.0
   45    44    47    48   0.33100  1.0 3.0
   45    44    47    55   0.00000  1.0 1.0
   45    44    49    50   0.19450  1.0 3.0
   47    44    49    50  -0.07800  1.0 1.0
   47    44    49    50  -0.21500 -1.0 2.0
   47    44    49    50  -0.03150  1.0 3.0
   47    55   -56    40   0.09850  1.0 1.0
   47    55   -56    40   0.15250 -1.0 2.0
   47    55   -56    40  -0.50650  1.0 3.0
   47    55    56    57   0.00000  1.0 1.0
   47    55    56    61   0.09850  1.0 1.0
   47    55    56    61   0.15250 -1.0 2.0
   47    55    56    61  -0.50650  1.0 3.0
   47    55    58    59   0.00000  1.0 1.0
   47    55    58    60   0.00000  1.0 1.0
   47    55    58    63   0.67800  1.0 1.0
   47    55    58    63   0.47050 -1.0 2.0
   47    55    58    63  -0.62500  1.0 3.0
   48    47    55    56   7.00000 -1.0 2.0
   48    47    55    58   7.00000 -1.0 2.0
   55    56    61    62   0.15000  1.0 3.0
   55    56    61    39   0.61850  1.0 1.0
   55    56    61    39  -0.22750 -1.0 2.0
   55    56    61    39   0.15300  1.0 3.0
   55    56    61    65   0.61850  1.0 1.0
   55    56    61    65  -0.22750 -1.0 2.0
   55    56    61    65   0.15300  1.0 3.0
   55    58    63    64  -0.07800  1.0 1.0
   55    58    63    64  -0.21500 -1.0 2.0
   55    58    63    64  -0.03150  1.0 3.0
   56    40    44    45   0.15000  1.0 3.0
   56    40   -44    47   0.34400  1.0 1.0
   56    40   -44    47   0.09450 -1.0 2.0
   56    40   -44    47   0.11100  1.0 3.0
   56    40    44    49   0.86500  1.0 1.0
   56    40    44    49  -0.17500 -1.0 2.0
   56    40    44    49   0.20800  1.0 3.0
   56    55    58    59   0.34800  1.0 3.0
   56    55    58    60   0.34800  1.0 3.0
   56    55    58    63   0.18000  1.0 1.0
   56    55    58    63   0.16450 -1.0 2.0
   56    55    58    63   0.04450  1.0 3.0
   56    61   -39    33   0.06250  1.0 1.0
   56    61   -39    33  -0.01100 -1.0 2.0
   56    61   -39    33   0.28050  1.0 3.0
   56    61    65    66   0.06250  1.0 1.0
   56    61    65    66  -0.01100 -1.0 2.0
   56    61    65    66   0.28050  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    39   0.23400  1.0 3.0
   57    56    61    65   0.23400  1.0 3.0
   61    65    66    67   0.37050  1.0 3.0
   61    65    66    68   0.06250  1.0 1.0
   61    65    66    68  -0.01100 -1.0 2.0
   61    65    66    68   0.28050  1.0 3.0
   61    65    66    82  -0.12700  1.0 1.0
   61    65    66    82  -1.16200 -1.0 2.0
   61    65    66    82   0.58800  1.0 3.0
   62    61    39    33   0.37050  1.0 3.0
   62    61    65    66   0.37050  1.0 3.0
   39    33   -38    40   0.09700  1.0 1.0
   39    33   -38    40   0.15600 -1.0 2.0
   39    33   -38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    61    65    66  -0.53350  1.0 1.0
   39    61    65    66  -0.78350 -1.0 2.0
   39    61    65    66   0.33750  1.0 3.0
   65    61    39    33  -0.81800  1.0 1.0
   65    66    68    69   0.23400  1.0 3.0
   65    66    68    70   0.62750  1.0 1.0
   65    66    68    70  -0.30950 -1.0 2.0
   65    66    68    70   0.27300  1.0 3.0
   65    66    68    72   1.51850  1.0 1.0
   65    66    82    78  -0.70400  1.0 1.0
   65    66    82    78  -0.90350 -1.0 2.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    74   0.56750  1.0 1.0
   66    68    70    74  -0.07550 -1.0 2.0
   66    68    70    74   0.20000  1.0 3.0
   66    68    70    76  -0.47750  1.0 1.0
   66    68    72    73   0.29150  1.0 1.0
   66    68    72    73  -0.28350 -1.0 2.0
   66    68    72    73   0.43600  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    72   0.23400  1.0 3.0
   67    66    82    78   0.37050  1.0 3.0
   68    66    82    78   0.06250  1.0 1.0
   68    66    82    78  -0.01100 -1.0 2.0
   68    66    82    78   0.28050  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70   -74    78   0.56750  1.0 1.0
   68    70   -74    78  -0.07550 -1.0 2.0
   68    70   -74    78   0.20000  1.0 3.0
   68    70    74    80  -0.47750  1.0 1.0
   68    70    76    77   0.29150  1.0 1.0
   68    70    76    77  -0.28350 -1.0 2.0
   68    70    76    77   0.43600  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.23400  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73   0.29150  1.0 1.0
   70    68    72    73  -0.28350 -1.0 2.0
   70    68    72    73   0.43600  1.0 3.0
   70    74    78    79   0.15000  1.0 3.0
   70    74    78    82   0.62750  1.0 1.0
   70    74    78    82  -0.30950 -1.0 2.0
   70    74    78    82   0.27300  1.0 3.0
   70    74    78    83   0.56750  1.0 1.0
   70    74    78    83  -0.07550 -1.0 2.0
   70    74    78    83   0.20000  1.0 3.0
   70    74    80    81   0.29150  1.0 1.0
   70    74    80    81  -0.28350 -1.0 2.0
   70    74    80    81   0.43600  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.15000  1.0 3.0
   71    70    74    80   0.23400  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    78   -82    66   0.06250  1.0 1.0
   74    78   -82    66  -0.01100 -1.0 2.0
   74    78   -82    66   0.28050  1.0 3.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86  -0.47750  1.0 1.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    82   0.23400  1.0 3.0
   75    74    78    83   0.15000  1.0 3.0
   75    74    80    81   0.19450  1.0 3.0
   78    74    80    81   0.29150  1.0 1.0
   78    74    80    81  -0.28350 -1.0 2.0
   78    74    80    81   0.43600  1.0 3.0
   78    83    86    87   0.29150  1.0 1.0
   78    83    86    87  -0.28350 -1.0 2.0
   78    83    86    87   0.43600  1.0 3.0
   79    78    82    66   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    66    68    69   0.23400  1.0 3.0
   82    66   -68    70   0.62750  1.0 1.0
   82    66   -68    70  -0.30950 -1.0 2.0
   82    66   -68    70   0.27300  1.0 3.0
   82    66    68    72   1.51850  1.0 1.0
   82    78    83    84   0.23400  1.0 3.0
   82    78    83    85   0.23400  1.0 3.0
   82    78    83    86   1.51850  1.0 1.0
   83    78    82    66   0.06250  1.0 1.0
   83    78    82    66  -0.01100 -1.0 2.0
   83    78    82    66   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    74    78    79   0.23400  1.0 3.0
   80    74    78    82   1.51850  1.0 1.0
   80    74    78    83  -0.47750  1.0 1.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78  -0.47750  1.0 1.0
   76    70    74    80   3.77950  1.0 1.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74  -0.47750  1.0 1.0
   72    68    70    76   3.77950  1.0 1.0
   58    55    56    40   0.46850  1.0 1.0
   58    55    56    40   0.08550 -1.0 2.0
   58    55    56    40   0.09800  1.0 3.0
   58    55    56    57   0.34800  1.0 3.0
   58    55    56    61   0.46850  1.0 1.0
   58    55    56    61   0.08550 -1.0 2.0
   58    55    56    61   0.09800  1.0 3.0
   59    58    63    64   0.19450  1.0 3.0
   60    58    63    64   0.19450  1.0 3.0
   49    44    47    48   0.00000  1.0 1.0
   49    44    47    55   0.67800  1.0 1.0
   49    44    47    55   0.47050 -1.0 2.0
   49    44    47    55  -0.62500  1.0 3.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    44   0.09850  1.0 1.0
   42    38    40    44   0.15250 -1.0 2.0
   42    38    40    44  -0.50650  1.0 3.0
   42    38    40    56   0.09850  1.0 1.0
   42    38    40    56   0.15250 -1.0 2.0
   42    38    40    56  -0.50650  1.0 3.0
   42    46    51    52   0.08050  1.0 3.0
   42    46    51    53   0.08050  1.0 3.0
   42    46    51    54   0.08050  1.0 3.0
   43    42    46    51   2.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    42   1.10000 -1.0 2.0
   44    48    47    55   1.10000 -1.0 2.0
   56    58    55    47   1.10000 -1.0 2.0
   43    46    42    38   1.10000 -1.0 2.0
END
