* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    193    321     581
    1     0 S   NP   _N1_     1    28.71481    94.80864   -23.93288
    2     1 S   H    _HN1     2     1.02784   106.47493   -89.53437
    3     1 S   H    _H1_     3     1.02951    82.07325    17.33188
    4     1 S   H    _H2_     4     1.02830    27.39908   173.26326
    5     1 S   CT   _CA1     5     1.50083   131.98118   127.72280
    6     5 S   HC   _HA1     6     1.09581   105.21148    79.71446
    7     5 S   CO3  _C1_     7     1.53786   112.49429   -40.44468
    8     7 S   O2Z  _O11     8     1.26358   115.00855   -43.71294
    9     7 S   O2Z  _O12     9     1.26248   114.91756   135.49372
   10     5 S   CT   _CB1    10     1.53095   107.43193  -162.42750
   11    10 S   HC   HB11    11     1.09824   109.32220   -51.50920
   12    10 S   HC   HB12    12     1.09812   110.47630    65.10637
   13    10 S   CT   _CG1    13     1.52932   112.51537  -172.58190
   14    13 S   HC   HG11    14     1.09542   110.32765   -66.45976
   15    13 S   HC   HG12    15     1.09660   109.86642    52.81482
   16    13 S   C    _CD1    16     1.51697   112.48111   173.46163
   17    16 S   O    _OE1    17     1.22721   123.25656     6.02171
   18    16 S   N    _N2_    18     1.38715   111.63438  -174.22925
   19    18 S   H    _HN2    19     1.01558   119.05904     1.99174
   20    18 S   CT1  _CA2    20     1.46098   123.18853   177.95694
   21    20 S   HC   _HA2    21     1.09753   109.27773    -1.32972
   22    20 S   C    _C2_    22     1.53517   108.61852  -116.70857
   23    22 S   O    _O2_    23     1.23055   122.25802  -148.98191
   24    20 S   CT   _CB2    32     1.53585   112.09448   120.57059
   25    24 S   HC   HB21    33     1.09523   109.98545    58.32397
   26    24 S   HC   HB22    34     1.08985   108.73775   176.28469
   27    22 S   N    _N3_    24     1.38309   113.65941    38.35491
   28    27 S   H    _HN3    25     1.01605   119.52808    -3.19053
   29    24 S   S    _SG2    35     1.82827   111.08850   -61.71184
   30    27 S   CT   _CA3    26     1.45278   123.22562   177.20621
   31    30 S   HC   HA31    27     1.09548   107.48377   -65.34928
   32    30 S   HC   HA32    28     1.09556   108.01840    51.09701
   33    29 S   CT   _C26    36     1.93265   104.81770  -155.92867
   34    30 S   CO3  _C3_    29     1.52956   114.06906   173.11519
   35    34 S   O2Z  _O31    30     1.26376   116.05942    -0.67551
   36    34 S   O2Z  _O32    31     1.26426   114.41327   179.39639
   37    33 S   CT   _C19    37     1.59542   106.29331  -155.84708
   38    37 S   HC   _H50    38     1.09417   108.01287  -176.94931
   39    33 S   CT   _C22    71     1.57237   109.05278   -38.84905
   40    39 S   HC   _H53    72     1.09248   110.32122    55.18989
   41    37 S   CT   _C16    39     1.54361   113.20838   -60.99609
   42    41 S   HC   _H44    40     1.09690   109.70411  -173.01882
   43    41 S   HC   _H45    41     1.09627   110.96727    70.47209
   44    37 S   CT   _C20    59     1.54285   111.27261    65.97695
   45    44 S   HC   _H51    60     1.09827   106.90281   -60.00159
   46    39 S   OH   _O34    73     1.42583   111.01309   170.18734
   47    46 S   HO   _H65    74     0.97258   107.94637  -174.55202
   48    41 S   CT   _C15    42     1.52679   112.44726   -52.95854
   49    48 S   HC   _H42    43     1.09655   109.53319   -71.52431
   50    48 S   HC   _H43    44     1.09706   108.62188   173.29153
   51    44 S   CT   _C17    61     1.52323   118.66807  -177.69794
   52    51 S   HC   _H46    62     1.09643   111.11604   -42.95894
   53    51 S   HC   _H47    63     1.09545   111.31940    76.54507
   54    48 S   CM   _C11    45     1.50896   112.12302    49.87634
   55    51 S   CT   _C21    64     1.55212   104.61493  -161.65577
   56    55 S   HC   _H52    65     1.09760   106.32391   123.44840
   57    54 S   CM   _C9_    46     1.34317   120.30436   125.14094
   58    57 S   HC   _H40    47     1.08466   121.96090     0.47313
   59    55 S   CT   _C24    66     1.58206   106.61961     6.31544
   60    55 S   CT   _C27    96     1.52490   110.77283  -121.56348
   61    60 S   HC   _H54    97     1.09430   111.98591    61.52362
   62    60 S   HC   _H55    98     1.09592   110.23056   -57.78600
   63    60 S   HC   _H56    99     1.09333   111.03682  -176.21866
   64    57 S   CO4  _C12    48     1.47784   121.57129  -179.29003
   65    64 S   O    _O28    49     1.22617   121.11025   179.64668
   66    44 S   CT   _C25    67     1.54876   113.73890    60.01900
   67    59 S   CO4  _C14    79     1.55192   112.75138   142.94693
   68    67 S   O    _O30    80     1.23306   121.23588    -2.20158
   69    59 S   OS   _O35    85     1.45042   110.91163   -90.46258
   70    64 S   CM   _C8_    50     1.47486   117.82925    -0.59742
   71    70 S   HC   _H39    51     1.08363   117.83501  -179.06184
   72    66 S   CT   _C18    68     1.54961   106.96492   -59.17393
   73    72 S   HC   _H48    69     1.09457   110.13980   -67.96071
   74    72 S   HC   _H49    70     1.09565   109.28870   175.84414
   75    66 S   CT   _C29    75     1.55699   113.10970    62.44808
   76    75 S   HC   _H60    76     1.09404   112.89634    69.90570
   77    75 S   HC   _H61    77     1.09097   113.42162   -50.28650
   78    75 S   HC   _H62    78     1.09536   110.77457  -170.43191
   79    67 S   CT   _C30    81     1.51587   117.54603  -179.87805
   80    79 S   Cl   CL35    82     1.77229   109.89102  -146.88651
   81    79 S   HC   _H63    83     1.09193   109.69308    93.72152
   82    79 S   HC   _H64    84     1.09100   111.32105   -28.07932
   83    69 S   CO4  _C13    86     1.36361   122.77069   -85.03580
   84    83 S   O    _O29    87     1.22330   125.69310     0.30390
   85    70 S   CM   _C10    52     1.33745   120.59089     0.88204
   86    85 S   HC   _H41    53     1.08834   117.58364  -179.12240
   87    83 S   C5A  _C7_    88     1.43673   109.29242  -179.00870
   88    33 S   CT   _C23    54     1.61236   108.06856    87.79916
   89    87 S   C5BC _C5_    89     1.38245   133.05576    -0.50590
   90    89 S   HA   _H37    90     1.08070   126.21971    -0.43879
   91    88 S   CT   _C28    55     1.55380   114.66816   179.28536
   92    91 S   HC   _H57    56     1.09294   113.30375   -46.17871
   93    91 S   HC   _H58    57     1.09903   110.97996  -165.92230
   94    91 S   HC   _H59    58     1.09548   112.61832    76.02770
   95    89 S   C5BC _C4_    91     1.41516   106.64911   179.62051
   96    95 S   HA   _H36    92     1.08020   127.81333   179.85329
   97    95 S   C5A  _C6_    93     1.37355   106.13400     0.30710
   98    97 S   HA   _H38    94     1.08030   133.77003   179.61235
   99    87 S   OA   _O33    95     1.36756   117.49318   179.27665
  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
  27   2   1   1  24  10  15   7  12   6   5  20   8   6   1   9
   4   3  14   6   5  12  14   8   8   4  22   6   2   1   1   6
   3  12   9   5   8   5   3   7   2   1   3   2   1   1   3   2
   1   1   7   3   6   2   7   4   6   4   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    88    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    54    85    88    91    44    72    39    40    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    54    57    70    85    86    88    91    92    93    94    44    45    51    66    72    73    74    39    40    46    47  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    85    88    91    44    45    51    52    53    55    59    66    72    39    40    46    75  
   41    42    43    48    88    44    45    51    66    39  
   40    46    47    75    41    44    54    59    66    72    73    74    85    88    91  
   46    47    66    72    73    74    88  
   42    43    48    49    50    54    57    88    44    45    51    66  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    55    56    59    66    72    73    74    75    76    77    78    67    69    60    48    88  
   51    52    53    55    59    66    72    75  
   47    66    72    73    74    88  
   72  
   49    50    54    57    58    64    85    88    91  
   50    54    57    88  
   54    57    88  
   52    53    55    56    59    66    72    75    67    69    60    61    62    63  
   53    55    56    59    66    60  
   55    56    59    66    60  
   57    58    64    65    70    85    86    88    91    92    93    94  
   56    59    66    72    75    67    68    79    69    83    60    61    62    63  
   59    66    67    69    60    61    62    63  
   58    64    65    70    71    85    88    91  
   64    65    70    88  
   66    72    73    74    75    76    77    78    67    68    79    80    81    82    69    83    84    87    60    61    62    63  
   61    62    63    66    67    69  
   62    63  
   63  
    0  
   65    70    71    85    86    88  
   70    71    85  
   72    73    74    75    76    77    78    67    68    79    69    83  
   68    79    80    81    82    69    83    72    75  
   79    80    81    82    69  
   83    84    87    89    99    72    75    79  
   71    85    86    88    91  
   85    86    88  
   73    74    75    76    77    78    88  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    0  
   84    87    89    90    95    97    99  
   87    89    99  
   86    88    91    92    93    94  
   88    91  
   89    90    95    96    97    98    99  
   91    92    93    94  
   90    95    96    97    98    99  
   95    96    97    99  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98    99  
   97    98    99  
   98    99  
   99  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   81   2.4200   0.0150   0.103000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.103000   1.3810   1.2100   0.008598240   0.268726247
   83   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   88   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   97   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   99   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
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    88   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    57   549.000  1.340
   54    88   317.000  1.510
   57    58   340.000  1.080
   57    64   320.000  1.462
   64    65   570.000  1.229
   64    70   320.000  1.462
   70    71   340.000  1.080
   70    85   549.000  1.340
   85    86   340.000  1.080
   85    88   317.000  1.510
   88    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    66   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    60   268.000  1.529
   59    66   268.000  1.529
   59    67   317.000  1.522
   59    69   320.000  1.410
   66    72   268.000  1.529
   66    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    39   268.000  1.529
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   67    68   570.000  1.229
   67    79   317.000  1.522
   79    80   245.000  1.781
   79    81   340.000  1.090
   79    82   340.000  1.090
   69    83   214.000  1.327
   83    84   570.000  1.229
   83    87   335.000  1.450
   87    89   546.000  1.367
   87    99   340.000  1.360
   89    90   367.000  1.080
   89    95   469.000  1.424
   95    96   367.000  1.080
   95    97   546.000  1.367
   97    98   367.000  1.080
   97    99   340.000  1.360
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    88    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    88    54    70.00000  112.02700
   33    88    85    70.00000  112.02700
   33    88    91    58.35000  112.70000
   33    39    72    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   37    44    66    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    70.00000  112.02700
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    57    70.00000  124.00000
   48    54    88    65.00000  117.92700
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    57    58    35.00000  120.00000
   54    57    64    65.00000  118.96000
   54    88    85    70.00000  110.12100
   54    88    91    70.00000  112.02700
   57    64    65    80.00000  123.72100
   57    64    70    65.00000  118.65900
   64    57    58    40.00000  117.72500
   64    70    71    40.00000  117.72500
   64    70    85    65.00000  118.96000
   70    64    65    80.00000  123.72100
   70    85    86    35.00000  120.00000
   70    85    88    70.00000  124.00000
   85    70    71    35.00000  120.00000
   85    88    91    70.00000  112.02700
   88    33    37    58.35000  112.70000
   88    54    57    70.00000  124.00000
   88    85    86    35.00000  117.00000
   88    91    92    37.50000  110.70000
   88    91    93    37.50000  110.70000
   88    91    94    37.50000  110.70000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    55    58.35000  112.70000
   44    66    59    58.35000  112.70000
   44    66    72    58.35000  112.70000
   44    66    75    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    60    58.35000  112.70000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    59    66    58.35000  112.70000
   55    59    67    63.00000  111.10000
   55    59    69    50.00000  109.50000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   59    55    56    37.50000  110.70000
   59    66    72    58.35000  112.70000
   59    66    75    58.35000  112.70000
   59    67    68    80.00000  120.40000
   59    67    79    70.00000  116.00000
   59    69    83    83.00000  116.90000
   66    44    45    37.50000  110.70000
   66    44    51    58.35000  112.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    39    58.35000  112.70000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    78    37.50000  110.70000
   72    39    40    37.50000  110.70000
   72    39    46    50.00000  109.50000
   74    72    73    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    88    58.35000  112.70000
   39    72    73    37.50000  110.70000
   39    72    74    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   75    66    72    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   67    59    66    63.00000  111.10000
   67    79    80    70.00000  110.66000
   67    79    81    35.00000  109.50000
   67    79    82    35.00000  109.50000
   79    67    68    80.00000  120.40000
   81    79    80    51.00000  107.60000
   82    79    80    51.00000  107.60000
   82    79    81    33.00000  107.80000
   69    59    66    50.00000  109.50000
   69    59    67    90.00000  108.74100
   69    83    84    83.00000  123.40000
   69    83    87    81.00000  111.40000
   83    87    89    55.00000  130.80000
   83    87    99    80.00000  119.06000
   87    83    84    80.00000  122.40000
   87    89    90    35.00000  125.70000
   87    89    95    70.00000  107.30000
   87    99    97    70.00000  106.50000
   89    95    96    35.00000  127.50000
   89    95    97    70.00000  107.30000
   95    89    90    35.00000  127.50000
   95    97    98    35.00000  132.10000
   95    97    99    70.00000  110.60000
   97    95    96    35.00000  125.70000
   99    87    89    70.00000  110.60000
   99    97    98    35.00000  113.40000
   60    55    56    37.50000  110.70000
   60    55    59    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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    88   0.01700  1.0 1.0
   24    29    33    88  -0.23550 -1.0 2.0
   24    29    33    88   0.21350  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
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   96    95    97    98   3.62500 -1.0 2.0
   96    95    97    99   3.62500 -1.0 2.0
   98    97    99    87   3.62500 -1.0 2.0
   99    87    89    90   3.62500 -1.0 2.0
   99    87   -89    95   3.62500 -1.0 2.0
   60    55    59    66   0.56750  1.0 1.0
   60    55    59    66  -0.07550 -1.0 2.0
   60    55    59    66   0.20000  1.0 3.0
   60    55    59    67  -0.95700  1.0 1.0
   60    55    59    67  -0.18200 -1.0 2.0
   60    55    59    67   0.29450  1.0 3.0
   60    55    59    69   0.62750  1.0 1.0
   60    55    59    69  -0.30950 -1.0 2.0
   60    55    59    69   0.27300  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
   48    88    54    57   1.10000 -1.0 2.0
   64    58    57    54   1.10000 -1.0 2.0
   57    70    64    65  10.50000 -1.0 2.0
   64    71    70    85   1.10000 -1.0 2.0
   88    86    85    70   1.10000 -1.0 2.0
   59    79    67    68  10.50000 -1.0 2.0
   69    87    83    84  10.50000 -1.0 2.0
   89    99    87    83   4.00000 -1.0 2.0
   95    90    89    87   1.10000 -1.0 2.0
   97    96    95    89   1.10000 -1.0 2.0
   99    98    97    95   1.10000 -1.0 2.0
END
