* LIGAND DATABASE FILE (OPLS2005)
*
001      93    94    172    250     497
    1     0 S   NP   _N1_     1    29.17599    91.89714   -26.78154
    2     1 S   H    _HN1     2     1.02948    87.89706    15.41758
    3     1 S   H    _H1_     3     1.02828    21.08998  -140.39890
    4     1 S   H    _H2_     4     1.02788   123.75891   -95.35504
    5     1 S   CT   _CA1     5     1.50113   111.10724   126.51387
    6     5 S   HC   _HA1     6     1.09572   105.18949    81.87340
    7     5 S   CO3  _C1_     7     1.53782   112.44960   -38.37491
    8     7 S   O2Z  _O11     8     1.26375   115.00506   -42.82868
    9     7 S   O2Z  _O12     9     1.26234   114.94735   136.26098
   10     5 S   CT   _CB1    10     1.53070   107.41619  -160.13228
   11    10 S   HC   HB11    11     1.09836   109.38130   -49.44709
   12    10 S   HC   HB12    12     1.09811   110.45341    67.16410
   13    10 S   CT   _CG1    13     1.52998   112.60661  -170.39266
   14    13 S   HC   HG11    14     1.09578   110.68263   -65.96651
   15    13 S   HC   HG12    15     1.09671   109.74614    53.27122
   16    13 S   C    _CD1    16     1.51804   112.13091   173.76127
   17    16 S   O    _OE1    17     1.22742   123.24111     9.22837
   18    16 S   N    _N2_    18     1.38631   111.71237  -170.86920
   19    18 S   H    _HN2    19     1.01582   119.01171     1.55356
   20    18 S   CT1  _CA2    20     1.46260   123.44631   177.47850
   21    20 S   HC   _HA2    21     1.09726   109.30660     6.13923
   22    20 S   C    _C2_    22     1.53666   109.02816  -109.52561
   23    22 S   O    _O2_    23     1.23079   122.20989  -151.37050
   24    20 S   CT   _CB2    32     1.53310   111.36215   128.12661
   25    24 S   HC   HB21    33     1.09415   109.40587    56.49214
   26    24 S   HC   HB22    34     1.09500   110.39715   175.51406
   27    22 S   N    _N3_    24     1.38297   113.93733    36.11076
   28    27 S   H    _HN3    25     1.01548   119.58102    -3.33331
   29    24 S   S    _SG2    35     1.82819   111.51393   -64.51912
   30    27 S   CT   _CA3    26     1.45271   123.25885   177.21885
   31    30 S   HC   HA31    27     1.09547   107.52546   -64.63391
   32    30 S   HC   HA32    28     1.09558   107.98328    51.82120
   33    29 S   CT   _C25    36     1.83856    99.73046   178.94984
   34    33 S   HC   _H3_    37     1.09516   106.00775    51.42196
   35    30 S   CO3  _C3_    29     1.52964   114.04841   173.82226
   36    35 S   O2Z  _O31    30     1.26382   116.07687     0.01978
   37    35 S   O2Z  _O32    31     1.26428   114.41064  -179.93439
   38    33 S   CM   _C9_    38     1.53527   111.39134   -70.11454
   39    33 S   CT   _C24    90     1.53066   108.83131   165.11911
   40    39 S   HC   _H56    91     1.09574   112.65684    58.04324
   41    39 S   HC   _H57    92     1.09632   110.88352   -62.67513
   42    39 S   HC   _H58    93     1.09604   110.54099   178.61916
   43    38 S   CMA  _C10    39     1.36839   122.10860   113.06417
   44    43 S   OM   _O23    40     1.26806   125.31543     0.83039
   45    38 S   CT   _C21    86     1.51990   115.35959   -67.82108
   46    45 S   HC   _H47    87     1.09455   110.18762   -68.19852
   47    45 S   HC   _H48    88     1.09348   113.85378   171.64925
   48    45 S   HC   _H49    89     1.09396   111.12124    52.06688
   49    43 S   OS   _O27    41     1.41519   111.78544   178.93780
   50    49 S   CT   _C18    42     1.45393   118.47743   133.30401
   51    50 S   CO4  _C8_    43     1.51975    99.45355  -168.93004
   52    51 S   O    _O24    44     1.22203   126.48559    89.41960
   53    50 S   CT   _C23    82     1.52759   110.87506   -52.23445
   54    53 S   HC   _H53    83     1.09488   111.34890    90.35075
   55    53 S   HC   _H54    84     1.09679   111.06801   -28.75358
   56    53 S   HC   _H55    85     1.09334   112.87272  -146.95958
   57    51 S   OS   _O26    45     1.37285   109.79630   -89.67717
   58    57 S   CT   _C15    46     1.43682   108.71380     3.09807
   59    58 S   HC   _H38    47     1.09613   106.06608    86.91251
   60    58 S   CM   _C5_    48     1.49736   109.62014  -155.37408
   61    60 S   HC   _H31    49     1.08963   114.64676    39.15016
   62    50 S   CT   _C16    65     1.55226   111.79468    86.18593
   63    62 S   HC   _H39    66     1.09180   110.68846   -46.69767
   64    60 S   CM   _C7_    50     1.34963   127.39044  -149.29407
   65    64 S   CT   _C14    51     1.52264   118.33562  -162.46833
   66    65 S   HC   _H36    52     1.09651   110.22615  -148.43872
   67    65 S   HC   _H37    53     1.09833   110.07726   -32.07570
   68    64 S   CT   _C20    78     1.50189   125.61601     9.10064
   69    68 S   HC   _H44    79     1.09495   109.67831   117.59995
   70    68 S   HC   _H45    80     1.09214   113.40434    -2.74310
   71    68 S   HC   _H46    81     1.09413   110.80694  -123.23983
   72    65 S   CT   _C12    54     1.55046   111.60979    89.07229
   73    72 S   HC   _H32    55     1.09622   109.38983  -168.21230
   74    72 S   HC   _H33    56     1.09340   109.41215    76.05614
   75    72 S   CM   _C4_    57     1.51055   110.74354   -48.04884
   76    75 S   HC   _H30    58     1.08993   114.15886   -69.84679
   77    75 S   CM   _C6_    59     1.34968   126.72913    98.42489
   78    77 S   CT   _C13    60     1.51471   119.68361  -162.20125
   79    78 S   HC   _H34    61     1.09865   110.20681  -172.04162
   80    78 S   HC   _H35    62     1.09851   108.22111   -59.00384
   81    77 S   CT   _C19    74     1.50395   125.15138    13.77632
   82    81 S   HC   _H41    75     1.09559   109.80075   129.02680
   83    81 S   HC   _H42    76     1.09175   113.43641    10.08719
   84    81 S   HC   _H43    77     1.09343   110.87270  -111.47348
   85    78 S   CT   _C17    63     1.56135   115.91051    64.54125
   86    85 S   HC   _H40    64     1.09347   109.28718   -58.97735
   87    85 S   OS   _O28    67     1.44437   105.77659  -173.84795
   88    87 S   CO4  _C11    68     1.36403   118.00846    84.82651
   89    88 S   O    _O25    69     1.22330   126.48385     0.39860
   90    88 S   CT   _C22    70     1.49857   109.56038   179.83449
   91    90 S   HC   _H50    71     1.09251   109.78613   -69.22587
   92    90 S   HC   _H51    72     1.09377   109.33420   171.30724
   93    90 S   HC   _H52    73     1.09320   109.95082    52.68566
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  12  16  12   4   8   3   2   1   8  12   6  13   4  10   4  11
  12   6   5   4   2   1   1   7   4   3  10   3  10  10   5   4
   4   2   1   1   5   2   6   5   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    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    62    53    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    57    58    85    62    63    53    54    55    56  
   51    52    57    58    59    60    78    85    86    62    63    87    53    54    55    56  
   52    57    58    59    60    85    62    63    53    54    55    56  
   57    58    62    53  
   54    55    56    57    58    62    63    85  
   55    56    62  
   56    62  
   62  
   58    59    60    61    64    85    62    63  
   59    60    61    64    65    78    85    86    62    63    87    68  
   60    61    64    85    62    63  
   61    64    65    66    67    72    85    62    63    68    69    70    71  
   64    65    62    68  
   63    87    88    64    77    78    79    80    85    86  
   87    78    85    86  
   65    66    67    72    73    74    75    68    69    70    71  
   66    67    72    73    74    75    76    77    68    69    70    71  
   67    72    73    74    75    68  
   72    73    74    75    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75    76    77    78    81  
   74    75    76    77  
   75    76    77  
   76    77    78    79    80    85    81    82    83    84  
   77    78    81  
   78    79    80    85    86    87    81    82    83    84  
   79    80    85    86    87    88    81    82    83    84  
   80    85    86    87    81  
   85    86    87    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88    89    90  
   87    88  
   88    89    90    91    92    93  
   89    90    91    92    93  
   90    91    92    93  
   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   0.107500   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.0000   0.1700  -0.330000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   317.000  1.522
   50    62   268.000  1.529
   50    53   268.000  1.529
   51    52   570.000  1.229
   51    57   214.000  1.327
   57    58   320.000  1.410
   58    59   340.000  1.090
   58    60   317.000  1.510
   58    62   268.000  1.529
   60    61   340.000  1.080
   60    64   549.000  1.340
   64    65   317.000  1.510
   64    68   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.510
   75    76   340.000  1.080
   75    77   549.000  1.340
   77    78   317.000  1.510
   77    81   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    85   268.000  1.529
   85    86   340.000  1.090
   85    62   268.000  1.529
   85    87   320.000  1.410
   62    63   340.000  1.090
   87    88   214.000  1.327
   88    89   570.000  1.229
   88    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    90.00000  108.74100
   49    50    62    50.00000  109.50000
   49    50    53    50.00000  109.50000
   50    51    52    80.00000  120.40000
   50    51    57    81.00000  111.40000
   50    62    58    58.35000  112.70000
   50    62    85    58.35000  112.70000
   50    62    63    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    83.00000  116.90000
   57    51    52    83.00000  123.40000
   57    58    59    35.00000  109.50000
   57    58    60    85.00000  110.90400
   57    58    62    50.00000  109.50000
   58    60    61    35.00000  117.00000
   58    60    64    70.00000  124.00000
   58    62    85    58.35000  112.70000
   58    62    63    37.50000  110.70000
   60    58    59    35.00000  109.50000
   60    64    65    70.00000  124.00000
   60    64    68    70.00000  124.00000
   64    60    61    35.00000  120.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    72    70.00000  112.02700
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    70.00000  112.02700
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    75    76    35.00000  117.00000
   72    75    77    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    77    78    70.00000  124.00000
   75    77    81    70.00000  124.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  109.50000
   77    78    80    35.00000  109.50000
   77    78    85    70.00000  112.02700
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   78    85    86    37.50000  110.70000
   78    85    62    58.35000  112.70000
   78    85    87    50.00000  109.50000
   80    78    79    33.00000  107.80000
   85    78    79    37.50000  110.70000
   85    78    80    37.50000  110.70000
   85    62    63    37.50000  110.70000
   85    87    88    83.00000  116.90000
   62    50    51    63.00000  111.10000
   62    58    59    37.50000  110.70000
   62    58    60    70.00000  112.02700
   62    85    86    37.50000  110.70000
   87    85    86    35.00000  109.50000
   87    85    62    50.00000  109.50000
   87    88    89    83.00000  123.40000
   87    88    90    81.00000  111.40000
   88    90    91    35.00000  109.50000
   88    90    92    35.00000  109.50000
   88    90    93    35.00000  109.50000
   90    88    89    80.00000  120.40000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   81    77    78    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   68    64    65    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   53    50    51    63.00000  111.10000
   53    50    62    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51  -0.48150  1.0 1.0
   43    49    50    51   0.09250 -1.0 2.0
   43    49    50    51  -0.12850  1.0 3.0
   43    49    50    62  -0.46850  1.0 1.0
   43    49    50    62   0.09300 -1.0 2.0
   43    49    50    62  -0.12850  1.0 3.0
   43    49    50    53  -0.46850  1.0 1.0
   43    49    50    53   0.09300 -1.0 2.0
   43    49    50    53  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    51    52   0.30150 -1.0 2.0
   49    50    51    57   0.40000  1.0 3.0
   49    50    62    58   0.62750  1.0 1.0
   49    50    62    58  -0.30950 -1.0 2.0
   49    50    62    58   0.27300  1.0 3.0
   49    50    62    85   0.62750  1.0 1.0
   49    50    62    85  -0.30950 -1.0 2.0
   49    50    62    85   0.27300  1.0 3.0
   49    50    62    63   0.23400  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    56   0.23400  1.0 3.0
   50    51   -57    58   1.63150  1.0 1.0
   50    51   -57    58   2.92000 -1.0 2.0
   51    50   -62    58  -0.95700  1.0 1.0
   51    50   -62    58  -0.18200 -1.0 2.0
   51    50   -62    58   0.29450  1.0 3.0
   51    50    62    85  -0.95700  1.0 1.0
   51    50    62    85  -0.18200 -1.0 2.0
   51    50    62    85   0.29450  1.0 3.0
   51    50    62    63  -0.11250  1.0 3.0
   51    50    53    54  -0.11250  1.0 3.0
   51    50    53    55  -0.11250  1.0 3.0
   51    50    53    56  -0.11250  1.0 3.0
   51    57    58    59   0.08050  1.0 3.0
   51    57    58    60  -0.82050  1.0 1.0
   51    57    58    60   0.00600 -1.0 2.0
   51    57    58    60   0.04400  1.0 3.0
   51    57   -58    62  -0.25900  1.0 1.0
   51    57   -58    62  -0.47000 -1.0 2.0
   51    57   -58    62   0.11750  1.0 3.0
   52    51    57    58   3.00000 -1.0 2.0
   57    58    60    61   0.00000  1.0 1.0
   57    58    60    64   0.39000  1.0 1.0
   57    58    60    64  -0.05800 -1.0 2.0
   57    58    60    64  -0.55150  1.0 3.0
   57    58   -62    50   0.62750  1.0 1.0
   57    58   -62    50  -0.30950 -1.0 2.0
   57    58   -62    50   0.27300  1.0 3.0
   57    58    62    85   0.62750  1.0 1.0
   57    58    62    85  -0.30950 -1.0 2.0
   57    58    62    85   0.27300  1.0 3.0
   57    58    62    63   0.23400  1.0 3.0
   58    60    64    65   7.00000 -1.0 2.0
   58    60    64    68   7.00000 -1.0 2.0
   59    58    60    61   0.33100  1.0 3.0
   59    58    60    64   0.00000  1.0 1.0
   59    58    62    50   0.15000  1.0 3.0
   59    58    62    85   0.15000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   60    58    62    50   0.34400  1.0 1.0
   60    58    62    50   0.09450 -1.0 2.0
   60    58    62    50   0.11100  1.0 3.0
   60    58    62    85   0.34400  1.0 1.0
   60    58    62    85   0.09450 -1.0 2.0
   60    58    62    85   0.11100  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    64    65    66   0.00000  1.0 1.0
   60    64    65    67   0.00000  1.0 1.0
   60    64    65    72   0.09850  1.0 1.0
   60    64    65    72   0.15250 -1.0 2.0
   60    64    65    72  -0.50650  1.0 3.0
   60    64    68    69   0.00000  1.0 1.0
   60    64    68    70   0.00000  1.0 1.0
   60    64    68    71   0.00000  1.0 1.0
   61    60    64    65   7.00000 -1.0 2.0
   61    60    64    68   7.00000 -1.0 2.0
   64    65    72    73   0.15000  1.0 3.0
   64    65    72    74   0.15000  1.0 3.0
   64    65    72    75   0.31000  1.0 1.0
   64    65    72    75   0.14700 -1.0 2.0
   64    65    72    75   0.07550  1.0 3.0
   65    64    68    69   0.34800  1.0 3.0
   65    64    68    70   0.34800  1.0 3.0
   65    64    68    71   0.34800  1.0 3.0
   65    72    75    76   0.00000  1.0 1.0
   65    72    75    77   0.09850  1.0 1.0
   65    72    75    77   0.15250 -1.0 2.0
   65    72    75    77  -0.50650  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    74   0.15000  1.0 3.0
   66    65    72    75   0.15000  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    74   0.15000  1.0 3.0
   67    65    72    75   0.15000  1.0 3.0
   72    75    77    78   7.00000 -1.0 2.0
   72    75    77    81   7.00000 -1.0 2.0
   73    72    75    76   0.33100  1.0 3.0
   73    72    75    77   0.00000  1.0 1.0
   74    72    75    76   0.33100  1.0 3.0
   74    72    75    77   0.00000  1.0 1.0
   75    77    78    79   0.00000  1.0 1.0
   75    77    78    80   0.00000  1.0 1.0
   75    77    78    85   0.09850  1.0 1.0
   75    77    78    85   0.15250 -1.0 2.0
   75    77    78    85  -0.50650  1.0 3.0
   75    77    81    82   0.00000  1.0 1.0
   75    77    81    83   0.00000  1.0 1.0
   75    77    81    84   0.00000  1.0 1.0
   76    75    77    78   7.00000 -1.0 2.0
   76    75    77    81   7.00000 -1.0 2.0
   77    78    85    86   0.15000  1.0 3.0
   77    78    85    62   0.34400  1.0 1.0
   77    78    85    62   0.09450 -1.0 2.0
   77    78    85    62   0.11100  1.0 3.0
   77    78    85    87   0.61850  1.0 1.0
   77    78    85    87  -0.22750 -1.0 2.0
   77    78    85    87   0.15300  1.0 3.0
   78    77    81    82   0.34800  1.0 3.0
   78    77    81    83   0.34800  1.0 3.0
   78    77    81    84   0.34800  1.0 3.0
   78    85    62    50   0.56750  1.0 1.0
   78    85    62    50  -0.07550 -1.0 2.0
   78    85    62    50   0.20000  1.0 3.0
   78    85    62    58   0.56750  1.0 1.0
   78    85    62    58  -0.07550 -1.0 2.0
   78    85    62    58   0.20000  1.0 3.0
   78    85    62    63   0.15000  1.0 3.0
   78    85    87    88  -0.25900  1.0 1.0
   78    85    87    88  -0.47000 -1.0 2.0
   78    85    87    88   0.11750  1.0 3.0
   79    78    85    86   0.15000  1.0 3.0
   79    78    85    62   0.15000  1.0 3.0
   79    78    85    87   0.23400  1.0 3.0
   80    78    85    86   0.15000  1.0 3.0
   80    78    85    62   0.15000  1.0 3.0
   80    78    85    87   0.23400  1.0 3.0
   85    87    88    89   3.00000 -1.0 2.0
   85    87    88    90   1.63150  1.0 1.0
   85    87    88    90   2.92000 -1.0 2.0
   86    85    62    50   0.15000  1.0 3.0
   86    85    62    58   0.15000  1.0 3.0
   86    85    62    63   0.15000  1.0 3.0
   86    85    87    88   0.08050  1.0 3.0
   62    50    51    52   0.30150 -1.0 2.0
   62    50   -51    57   0.36750  1.0 3.0
   62    50    53    54   0.15000  1.0 3.0
   62    50    53    55   0.15000  1.0 3.0
   62    50    53    56   0.15000  1.0 3.0
   62    58    60    61   0.00000  1.0 1.0
   62    58    60    64   0.09850  1.0 1.0
   62    58    60    64   0.15250 -1.0 2.0
   62    58    60    64  -0.50650  1.0 3.0
   62    85    87    88  -0.25900  1.0 1.0
   62    85    87    88  -0.47000 -1.0 2.0
   62    85    87    88   0.11750  1.0 3.0
   87    85    62    50   0.62750  1.0 1.0
   87    85    62    50  -0.30950 -1.0 2.0
   87    85    62    50   0.27300  1.0 3.0
   87    85    62    58   0.62750  1.0 1.0
   87    85    62    58  -0.30950 -1.0 2.0
   87    85    62    58   0.27300  1.0 3.0
   87    85    62    63   0.23400  1.0 3.0
   87    88    90    91   0.00000  1.0 1.0
   87    88    90    92   0.00000  1.0 1.0
   87    88    90    93   0.00000  1.0 1.0
   89    88    90    91   0.00000  1.0 1.0
   89    88    90    92   0.00000  1.0 1.0
   89    88    90    93   0.00000  1.0 1.0
   81    77    78    79   0.34800  1.0 3.0
   81    77    78    80   0.34800  1.0 3.0
   81    77    78    85   0.46850  1.0 1.0
   81    77    78    85   0.08550 -1.0 2.0
   81    77    78    85   0.09800  1.0 3.0
   68    64    65    66   0.34800  1.0 3.0
   68    64    65    67   0.34800  1.0 3.0
   68    64    65    72   0.46850  1.0 1.0
   68    64    65    72   0.08550 -1.0 2.0
   68    64    65    72   0.09800  1.0 3.0
   53    50    51    52   0.30150 -1.0 2.0
   53    50    51    57   0.36750  1.0 3.0
   53    50    62    58   0.56750  1.0 1.0
   53    50    62    58  -0.07550 -1.0 2.0
   53    50    62    58   0.20000  1.0 3.0
   53    50    62    85   0.56750  1.0 1.0
   53    50    62    85  -0.07550 -1.0 2.0
   53    50    62    85   0.20000  1.0 3.0
   53    50    62    63   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   50    57    51    52  10.50000 -1.0 2.0
   58    61    60    64   1.10000 -1.0 2.0
   65    68    64    60   1.10000 -1.0 2.0
   72    76    75    77   1.10000 -1.0 2.0
   78    81    77    75   1.10000 -1.0 2.0
   87    90    88    89  10.50000 -1.0 2.0
END
