* LIGAND DATABASE FILE (OPLS2005)
*
001      93    95    170    255     492
    1     0 S   NP   _N1_     1    29.12977    97.49109   -19.55911
    2     1 S   H    _HN1     2     1.02948    71.02885    18.97904
    3     1 S   H    _H1_     3     1.02838    50.95085   151.90038
    4     1 S   H    _H2_     4     1.02793    86.47722   -91.71407
    5     1 S   CT   _CA1     5     1.50098   158.62695   116.97741
    6     5 S   HC   _HA1     6     1.09597   105.18629    87.94775
    7     5 S   CO3  _C1_     7     1.53698   112.13965   -32.07464
    8     7 S   O2Z  _O11     8     1.26343   115.09084   -51.87819
    9     7 S   O2Z  _O12     9     1.26215   114.86423   126.96940
   10     5 S   CT   _CB1    10     1.53071   107.38255  -154.40987
   11    10 S   HC   HB11    11     1.09835   109.15640   -51.30850
   12    10 S   HC   HB12    12     1.09799   110.67751    65.25225
   13    10 S   CT   _CG1    13     1.52962   112.53353  -172.27066
   14    13 S   HC   HG11    14     1.09583   110.71938   -67.68701
   15    13 S   HC   HG12    15     1.09571   109.60999    51.53875
   16    13 S   C    _CD1    16     1.51811   112.18335   171.41165
   17    16 S   O    _OE1    17     1.22724   123.27306     7.26582
   18    16 S   N    _N2_    18     1.38625   111.67510  -172.41990
   19    18 S   H    _HN2    19     1.01546   118.89781    -0.17246
   20    18 S   CT1  _CA2    20     1.46177   123.39275   174.84756
   21    20 S   HC   _HA2    21     1.09716   109.31875    -1.15792
   22    20 S   C    _C2_    22     1.53646   108.50737  -116.62780
   23    22 S   O    _O2_    23     1.23054   122.17604  -152.94033
   24    20 S   CT   _CB2    32     1.53392   111.94137   121.16571
   25    24 S   HC   HB21    33     1.09264   110.06678    61.09111
   26    24 S   HC   HB22    34     1.09567   109.95028   178.12602
   27    22 S   N    _N3_    24     1.38278   113.79973    34.02718
   28    27 S   H    _HN3    25     1.01588   119.41686    -2.53420
   29    24 S   S    _SG2    35     1.83082   111.75635   -63.82909
   30    27 S   CT   _CA3    26     1.45260   123.47530   178.41551
   31    30 S   HC   HA31    27     1.09532   107.42288   -69.14888
   32    30 S   HC   HA32    28     1.09554   108.15041    47.41710
   33    29 S   CT   _C27    36     1.86248   102.57538   124.52806
   34    30 S   CO3  _C3_    29     1.53006   113.91417   169.48545
   35    34 S   O2Z  _O31    30     1.26392   116.05055     1.05592
   36    34 S   O2Z  _O32    31     1.26414   114.42934  -178.87726
   37    33 S   CT   _C24    37     1.53504   108.96289    62.92517
   38    37 S   HC   _H52    38     1.09445   112.31303   -71.12739
   39    37 S   HC   _H53    39     1.09663   111.62074    50.30728
   40    37 S   HC   _H54    40     1.09504   111.33982   168.99833
   41    33 S   CT   _C25    41     1.53947   105.34208  -179.93147
   42    41 S   HC   _H55    42     1.09665   111.70736    63.25815
   43    41 S   HC   _H56    43     1.09684   111.79444   -57.99868
   44    41 S   HC   _H57    44     1.09605   111.24546  -177.04653
   45    33 S   CT   _C26    45     1.54145   109.20523   -61.13735
   46    45 S   HC   _H58    46     1.09857   109.32255   -49.51652
   47    45 S   HC   _H59    47     1.09521   112.24129    68.55848
   48    45 S   CO4  _C16    48     1.51453   114.79256  -170.62030
   49    48 S   O    _O27    49     1.22258   124.87554   -52.82306
   50    48 S   OS   _O33    50     1.36322   109.27068   129.24265
   51    50 S   CT   _C18    51     1.44050   117.55511   175.33385
   52    51 S   HC   _H39    52     1.10061   109.72762    36.07457
   53    51 S   CT   _C17    53     1.53583   110.45453   -82.60679
   54    53 S   HC   _H38    54     1.09718   108.71515    74.18987
   55    53 S   CA   _C7_    55     1.50473   110.04912  -166.09900
   56    53 S   OS   _O30    80     1.44385   110.94655   -47.56097
   57    55 S   CA   _C8_    56     1.39901   121.12995    16.49733
   58    56 S   CO4  _C15    81     1.36045   118.03471   101.17202
   59    58 S   O    _O26    82     1.21874   126.79067     0.48779
   60    57 S   CA   _C5_    57     1.39994   120.37889  -179.21890
   61    60 S   HA   _H34    58     1.08747   120.05436   179.31130
   62    57 S   OS   _O29    70     1.36935   124.36612    -0.25793
   63    58 S   CM   _C13    83     1.48258   107.14020   179.89165
   64    63 S   HC   _H37    84     1.08820   114.92304   -12.05565
   65    60 S   CA   _C4_    59     1.39620   120.61713    -1.16567
   66    65 S   HA   _H33    60     1.08710   119.16779  -179.61948
   67    51 S   CT   _C19    71     1.54573   109.69362   153.44537
   68    63 S   CM   _C14    85     1.34584   126.00947   169.17798
   69    65 S   CA   _C6_    61     1.39408   119.89887     0.14804
   70    67 S   CT   _C22    72     1.54089   108.84059   -64.15775
   71    70 S   HC   _H46    73     1.09644   110.88848  -175.28050
   72    70 S   HC   _H47    74     1.09490   112.06736    63.52882
   73    70 S   HC   _H48    75     1.09625   110.77105   -57.75305
   74    67 S   CT   _C23    76     1.53694   114.63289    56.17487
   75    74 S   HC   _H49    77     1.09670   110.54364  -174.72266
   76    74 S   HC   _H50    78     1.09384   112.18212    68.09670
   77    74 S   HC   _H51    79     1.09414   111.69872   -54.33652
   78    68 S   CT   _C20    86     1.50789   119.66615   177.56683
   79    78 S   HC   _H40    87     1.09479   110.41830   119.16135
   80    78 S   HC   _H41    88     1.09517   112.46868    -0.98596
   81    78 S   HC   _H42    89     1.09501   110.13497  -121.02952
   82    68 S   CT   _C21    90     1.50298   126.43010    -2.78467
   83    82 S   HC   _H43    91     1.09440   110.16974   102.67368
   84    82 S   HC   _H44    92     1.09137   113.56967   -19.56066
   85    82 S   HC   _H45    93     1.09523   110.10839  -138.23947
   86    55 S   CA   _C9_    62     1.40441   120.96508  -164.29115
   87    86 S   OS   _O28    63     1.41529   118.11197    -0.23821
   88    87 S   CO4  _C12    64     1.38966   122.30192  -179.67857
   89    88 S   O    _O25    65     1.22577   122.16707   179.63416
   90    88 S   CM   _C11    66     1.47299   116.62266    -0.44455
   91    90 S   HC   _H36    67     1.08424   117.16057  -179.74359
   92    69 S   CM   _C10    68     1.45366   121.85029  -179.60189
   93    92 S   HC   _H35    69     1.08456   119.01275    -0.12195
  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  13   5   4   3
  14   2   1   1  11   4   3   2   7   3   2   1   6   4   3   6
   2  10  18   8  15   6  13   8  11   6   3   8   4  11  10   3
   7   3   8   8   7   7   3   2   1   3   2   1   1   7   3   2
   1   3   2   1   1   6   5   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51  
   47    48    49    50  
   48    49    50  
   49    50    51    52    53    67  
   50    51  
   51    52    53    54    55    62    67    70    74    56  
   52    53    54    55    57    86    62    67    70    71    72    73    74    75    76    77    56    58  
   53    54    55    62    67    70    74    56  
   54    55    57    60    69    86    87    62    67    70    74    56    58    59    63  
   55    57    86    67    56    58  
   57    60    61    65    69    86    87    88    92    62    67    56    58  
   58    59    63    64    68    57    67    86  
   60    61    65    66    69    86    87    62    67    70    74  
   59    63    64    68    78    82  
   63    64    68  
   61    65    66    69    86    92    62    67  
   65    66    69    62  
   67    70    71    72    73    74    75    76    77    65    86  
   64    68    78    79    80    81    82    83    84    85  
   68    78    82  
   66    69    86    87    90    92    93  
   69    86    92  
   70    71    72    73    74    75    76    77  
   78    79    80    81    82    83    84    85  
   86    87    88    90    91    92    93  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
   87    88    89    90    92    93  
   88    89    90    91    92  
   89    90    91    92    93  
   90    91    92  
   91    92    93  
   92    93  
   93  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   93   2.4200   0.0300   0.115000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    67   268.000  1.529
   53    54   340.000  1.090
   53    55   317.000  1.510
   53    56   320.000  1.410
   55    57   469.000  1.400
   55    86   469.000  1.400
   57    60   469.000  1.400
   57    62   450.000  1.364
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    86   469.000  1.400
   69    92   320.000  1.460
   86    87   450.000  1.364
   87    88   214.000  1.327
   88    89   570.000  1.229
   88    90   320.000  1.462
   90    91   340.000  1.080
   90    92   549.000  1.340
   92    93   340.000  1.080
   62    67   320.000  1.410
   67    70   268.000  1.529
   67    74   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    63   320.000  1.462
   63    64   340.000  1.080
   63    68   549.000  1.340
   68    78   317.000  1.510
   68    82   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    45    48    63.00000  111.10000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    80.00000  120.40000
   45    48    50    81.00000  111.40000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    83.00000  116.90000
   50    48    49    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    67    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    70.00000  112.17500
   51    53    56    50.00000  109.50000
   51    67    62    50.00000  109.50000
   51    67    70    58.35000  112.70000
   51    67    74    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    55    57    70.00000  120.00000
   53    55    86    70.00000  120.00000
   53    56    58    83.00000  116.90000
   55    53    54    35.00000  109.50000
   55    57    60    63.00000  120.00000
   55    57    62    70.00000  120.00000
   55    86    69    63.00000  120.00000
   55    86    87    70.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    65    63.00000  120.00000
   57    62    67    75.00000  111.00000
   60    65    66    35.00000  120.00000
   60    65    69    63.00000  120.00000
   65    60    61    35.00000  120.00000
   65    69    86    63.00000  120.00000
   65    69    92    60.00000  120.93500
   69    65    66    35.00000  120.00000
   69    86    87    70.00000  120.00000
   69    92    90    60.00000  123.20500
   69    92    93    40.00000  117.26300
   86    55    57    63.00000  120.00000
   86    87    88    85.00000  115.98000
   87    88    89    83.00000  123.40000
   87    88    90    90.00000  111.29400
   88    90    91    40.00000  117.72500
   88    90    92    65.00000  118.96000
   90    88    89    80.00000  123.72100
   90    92    93    35.00000  120.00000
   92    69    86    60.00000  120.93500
   92    90    91    35.00000  120.00000
   62    57    60    70.00000  120.00000
   62    67    70    50.00000  109.50000
   62    67    74    50.00000  109.50000
   67    51    52    37.50000  110.70000
   67    51    53    58.35000  112.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    67    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    85.00000  111.85700
   56    58    59    83.00000  123.40000
   56    58    63    90.00000  111.29400
   58    63    64    40.00000  117.72500
   58    63    68    65.00000  118.96000
   63    58    59    80.00000  123.72100
   63    68    78    70.00000  124.00000
   63    68    82    70.00000  124.00000
   68    63    64    35.00000  120.00000
   68    78    79    35.00000  109.50000
   68    78    80    35.00000  109.50000
   68    78    81    35.00000  109.50000
   68    82    83    35.00000  109.50000
   68    82    84    35.00000  109.50000
   68    82    85    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    68    78    65.00000  117.92700
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.15000  1.0 3.0
   29    33    45    48   0.56750  1.0 1.0
   29    33    45    48  -0.07550 -1.0 2.0
   29    33    45    48   0.20000  1.0 3.0
   33    45    48    49   0.30150 -1.0 2.0
   33    45    48    50   0.36750  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.15000  1.0 3.0
   37    33    45    48  -0.95700  1.0 1.0
   37    33    45    48  -0.18200 -1.0 2.0
   37    33    45    48   0.29450  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.15000  1.0 3.0
   41    33    45    47   0.15000  1.0 3.0
   41    33    45    48  -0.95700  1.0 1.0
   41    33    45    48  -0.18200 -1.0 2.0
   41    33    45    48   0.29450  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.15000  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    48    50    51   1.63150  1.0 1.0
   45    48    50    51   2.92000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.00000  1.0 1.0
   48    50    51    52   0.08050  1.0 3.0
   48    50    51    53  -0.25900  1.0 1.0
   48    50    51    53  -0.47000 -1.0 2.0
   48    50    51    53   0.11750  1.0 3.0
   48    50    51    67  -0.25900  1.0 1.0
   48    50    51    67  -0.47000 -1.0 2.0
   48    50    51    67   0.11750  1.0 3.0
   49    48    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55  -0.64350  1.0 1.0
   50    51    53    55  -0.04200 -1.0 2.0
   50    51    53    55   0.19800  1.0 3.0
   50    51    53    56   1.11900  1.0 1.0
   50    51    53    56  -1.16350 -1.0 2.0
   50    51    53    56  -0.34150  1.0 3.0
   50    51    67    62   1.11900  1.0 1.0
   50    51    67    62  -1.16350 -1.0 2.0
   50    51    67    62  -0.34150  1.0 3.0
   50    51    67    70   0.62750  1.0 1.0
   50    51    67    70  -0.30950 -1.0 2.0
   50    51    67    70   0.27300  1.0 3.0
   50    51    67    74   0.62750  1.0 1.0
   50    51    67    74  -0.30950 -1.0 2.0
   50    51    67    74   0.27300  1.0 3.0
   51    53    55    57   0.04150 -1.0 2.0
   51    53    55    86   0.04150 -1.0 2.0
   51    53    56    58  -0.25900  1.0 1.0
   51    53    56    58  -0.47000 -1.0 2.0
   51    53    56    58   0.11750  1.0 3.0
   51    67    70    71   0.15000  1.0 3.0
   51    67    70    72   0.15000  1.0 3.0
   51    67    70    73   0.15000  1.0 3.0
   51    67    74    75   0.15000  1.0 3.0
   51    67    74    76   0.15000  1.0 3.0
   51    67    74    77   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.43200  1.0 3.0
   52    51    53    56   0.23400  1.0 3.0
   52    51    67    62   0.23400  1.0 3.0
   52    51    67    70   0.15000  1.0 3.0
   52    51    67    74   0.15000  1.0 3.0
   53    51    67    62   0.62750  1.0 1.0
   53    51    67    62  -0.30950 -1.0 2.0
   53    51    67    62   0.27300  1.0 3.0
   53    51    67    70   0.56750  1.0 1.0
   53    51    67    70  -0.07550 -1.0 2.0
   53    51    67    70   0.20000  1.0 3.0
   53    51    67    74   0.56750  1.0 1.0
   53    51    67    74  -0.07550 -1.0 2.0
   53    51    67    74   0.20000  1.0 3.0
   53    55    57    60   3.62500 -1.0 2.0
   53    55   -57    62   3.62500 -1.0 2.0
   53    55    86    69   3.62500 -1.0 2.0
   53    55    86    87   3.62500 -1.0 2.0
   53    56    58    59   3.00000 -1.0 2.0
   53    56    58    63   2.00000 -1.0 2.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    86   0.00000  1.0 1.0
   54    53    56    58   0.08050  1.0 3.0
   55    53    56    58  -0.43900 -1.0 2.0
   55    53    56    58   0.14100  1.0 3.0
   55    57    60    61   3.62500 -1.0 2.0
   55    57    60    65   3.62500 -1.0 2.0
   55    57    62    67   1.63200 -1.0 2.0
   55    86    87    88   0.01300  1.0 1.0
   55    86    87    88   0.97950 -1.0 2.0
   55    86    87    88  -0.55700  1.0 3.0
   57    55    86    69   3.62500 -1.0 2.0
   57    55    86    87   3.62500 -1.0 2.0
   57    60    65    66   3.62500 -1.0 2.0
   57    60   -65    69   3.62500 -1.0 2.0
   57    62   -67    51  -0.32850  1.0 1.0
   57    62   -67    51  -0.35800 -1.0 2.0
   57    62   -67    51   0.33950  1.0 3.0
   57    62    67    70  -0.32850  1.0 1.0
   57    62    67    70  -0.35800 -1.0 2.0
   57    62    67    70   0.33950  1.0 3.0
   57    62    67    74  -0.32850  1.0 1.0
   57    62    67    74  -0.35800 -1.0 2.0
   57    62    67    74   0.33950  1.0 3.0
   60    57    62    67   1.63200 -1.0 2.0
   60    65    69    86   3.62500 -1.0 2.0
   60    65    69    92   3.62500 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   61    60    65    69   3.62500 -1.0 2.0
   65    69   -86    55   3.62500 -1.0 2.0
   65    69    86    87   3.62500 -1.0 2.0
   65    69    92    90   0.15800  1.0 1.0
   65    69    92    90   1.85350 -1.0 2.0
   65    69    92    90  -0.48700  1.0 3.0
   65    69    92    93   0.56550  1.0 3.0
   66    65    69    86   3.62500 -1.0 2.0
   66    65    69    92   3.62500 -1.0 2.0
   69    86    87    88   0.01300  1.0 1.0
   69    86    87    88   0.97950 -1.0 2.0
   69    86    87    88  -0.55700  1.0 3.0
   86    55   -57    60   3.62500 -1.0 2.0
   86    55    57    62   3.62500 -1.0 2.0
   86    69    92    90   0.15800  1.0 1.0
   86    69    92    90   1.85350 -1.0 2.0
   86    69    92    90  -0.48700  1.0 3.0
   86    69    92    93   0.56550  1.0 3.0
   86    87    88    89   3.00000 -1.0 2.0
   86    87   -88    90   2.00000 -1.0 2.0
   87    88    90    91   1.63100 -1.0 2.0
   87    88    90    92  -0.56150  1.0 1.0
   87    88    90    92   2.19150 -1.0 2.0
   88    90   -92    69   7.00000 -1.0 2.0
   88    90    92    93   7.00000 -1.0 2.0
   89    88    90    91   0.00000  1.0 1.0
   89    88    90    92   1.00000 -1.0 2.0
   91    90    92    69   7.00000 -1.0 2.0
   91    90    92    93   7.00000 -1.0 2.0
   92    69    86    55   3.62500 -1.0 2.0
   92    69   -86    87   3.62500 -1.0 2.0
   62    57    60    61   3.62500 -1.0 2.0
   62    57    60    65   3.62500 -1.0 2.0
   62    67    70    71   0.23400  1.0 3.0
   62    67    70    72   0.23400  1.0 3.0
   62    67    70    73   0.23400  1.0 3.0
   62    67    74    75   0.23400  1.0 3.0
   62    67    74    76   0.23400  1.0 3.0
   62    67    74    77   0.23400  1.0 3.0
   67    51    53    54   0.15000  1.0 3.0
   67    51   -53    55  -0.03700  1.0 1.0
   67    51   -53    55   0.37200 -1.0 2.0
   67    51   -53    55  -0.47300  1.0 3.0
   67    51    53    56   0.62750  1.0 1.0
   67    51    53    56  -0.30950 -1.0 2.0
   67    51    53    56   0.27300  1.0 3.0
   70    67    74    75   0.15000  1.0 3.0
   70    67    74    76   0.15000  1.0 3.0
   70    67    74    77   0.15000  1.0 3.0
   74    67    70    71   0.15000  1.0 3.0
   74    67    70    72   0.15000  1.0 3.0
   74    67    70    73   0.15000  1.0 3.0
   56    53    55    57   0.64500  1.0 1.0
   56    53    55    57   0.14800 -1.0 2.0
   56    53    55    57   0.20650  1.0 3.0
   56    53    55    86   0.64500  1.0 1.0
   56    53    55    86   0.14800 -1.0 2.0
   56    53    55    86   0.20650  1.0 3.0
   56    58    63    64   1.63100 -1.0 2.0
   56    58    63    68  -0.56150  1.0 1.0
   56    58    63    68   2.19150 -1.0 2.0
   58    63    68    78   7.00000 -1.0 2.0
   58    63    68    82   7.00000 -1.0 2.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    68   1.00000 -1.0 2.0
   63    68    78    79   0.00000  1.0 1.0
   63    68    78    80   0.00000  1.0 1.0
   63    68    78    81   0.00000  1.0 1.0
   63    68    82    83   0.00000  1.0 1.0
   63    68    82    84   0.00000  1.0 1.0
   63    68    82    85   0.00000  1.0 1.0
   64    63    68    78   7.00000 -1.0 2.0
   64    63    68    82   7.00000 -1.0 2.0
   78    68    82    83   0.34800  1.0 3.0
   78    68    82    84   0.34800  1.0 3.0
   78    68    82    85   0.34800  1.0 3.0
   82    68    78    79   0.34800  1.0 3.0
   82    68    78    80   0.34800  1.0 3.0
   82    68    78    81   0.34800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   45    50    48    49  10.50000 -1.0 2.0
   57    86    55    53   4.00000 -1.0 2.0
   60    62    57    55   4.00000 -1.0 2.0
   65    61    60    57   1.10000 -1.0 2.0
   69    66    65    60   1.10000 -1.0 2.0
   86    92    69    65   4.00000 -1.0 2.0
   69    87    86    55   4.00000 -1.0 2.0
   87    90    88    89  10.50000 -1.0 2.0
   88    91    90    92   1.10000 -1.0 2.0
   69    93    92    90   1.10000 -1.0 2.0
   56    63    58    59  10.50000 -1.0 2.0
   58    64    63    68  15.00000 -1.0 2.0
   78    82    68    63  15.00000 -1.0 2.0
END
