* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    166    242     488
    1     0 S   NP   _N1_     1    28.61742    96.54924   -22.75148
    2     1 S   H    _HN1     2     1.02828    40.30532   165.03229
    3     1 S   H    _H1_     3     1.02786    99.97237   -89.01444
    4     1 S   H    _H2_     4     1.02950    72.57095    17.24968
    5     1 S   CT   _CA1     5     1.50112   143.80092   118.19019
    6     5 S   HC   _HA1     6     1.09573   105.19579    89.55260
    7     5 S   CO3  _C1_     7     1.53788   112.46066   -30.68463
    8     7 S   O2Z  _O11     8     1.26373   115.00796   -42.67297
    9     7 S   O2Z  _O12     9     1.26240   114.94718   136.45749
   10     5 S   CT   _CB1    10     1.53078   107.41878  -152.46622
   11    10 S   HC   HB11    11     1.09833   109.37236   -49.72638
   12    10 S   HC   HB12    12     1.09813   110.45042    66.88308
   13    10 S   CT   _CG1    13     1.52987   112.60116  -170.70141
   14    13 S   HC   HG11    14     1.09582   110.63283   -65.65624
   15    13 S   HC   HG12    15     1.09670   109.78476    53.57348
   16    13 S   C    _CD1    16     1.51798   112.22126   174.02873
   17    16 S   O    _OE1    17     1.22732   123.28521     7.01990
   18    16 S   N    _N2_    18     1.38647   111.66515  -173.07241
   19    18 S   H    _HN2    19     1.01575   118.96409     1.65505
   20    18 S   CT1  _CA2    20     1.46218   123.40634   177.48955
   21    20 S   HC   _HA2    21     1.09746   109.36862     2.90333
   22    20 S   C    _C2_    22     1.53584   108.53274  -112.50028
   23    22 S   O    _O2_    23     1.23046   122.34927  -147.75681
   24    20 S   CT   _CB2    32     1.53493   111.64932   124.87153
   25    24 S   HC   HB21    33     1.09434   109.50873    56.13191
   26    24 S   HC   HB22    34     1.09256   109.57295   174.57639
   27    22 S   N    _N3_    24     1.38352   113.68962    39.71103
   28    27 S   H    _HN3    25     1.01577   119.59336    -3.29527
   29    24 S   S    _SG2    35     1.83124   110.98348   -64.24804
   30    27 S   CT   _CA3    26     1.45282   123.20150   177.13140
   31    30 S   HC   HA31    27     1.09550   107.51062   -64.56718
   32    30 S   HC   HA32    28     1.09557   107.98409    51.87038
   33    29 S   CT   _C14    36     1.88120   102.18207  -166.78224
   34    33 S   HC   _H3_    37     1.08677    98.46390  -173.09047
   35    30 S   CO3  _C3_    29     1.52957   114.08518   173.86822
   36    35 S   O2Z  _O31    30     1.26377   116.08154    -0.61612
   37    35 S   O2Z  _O32    31     1.26431   114.41426   179.44152
   38    33 S   CT   _C13    38     1.57128   107.74760    75.25773
   39    38 S   HC   _H35    39     1.09163   106.43996   -39.59007
   40    33 S   CT   _C15    56     1.57549   114.67914   -60.74927
   41    38 S   CT   _C11    40     1.59610   112.96676    77.68184
   42    41 S   HC   _H33    41     1.09829   107.68665    -9.90546
   43    40 S   CT   _C19    57     1.54454   112.08989   -41.81372
   44    43 S   HC   _H46    58     1.09404   112.30966    69.17756
   45    43 S   HC   _H47    59     1.09454   111.67445   -53.53161
   46    43 S   HC   _H48    60     1.09679   110.87027  -173.98833
   47    40 S   OH   _O22    61     1.43601   107.66606    75.97134
   48    47 S   HO   _H56    62     0.97248   108.31476  -175.68366
   49    38 S   OS   _O24    84     1.44024   113.15361  -156.19338
   50    41 S   CT   _C12    42     1.57853   115.64121   108.93645
   51    50 S   HC   _H34    43     1.09537   108.77458    47.43791
   52    41 S   CT   _C22    74     1.57928   107.73657  -121.72437
   53    52 S   HC   _H55    75     1.09878   107.12365    39.29541
   54    49 S   CO4  _C7_    85     1.36579   118.61873   110.28105
   55    54 S   O    _O21    86     1.22358   126.81898    -2.04641
   56    50 S   CT   _C9_    44     1.55489   115.29069   -78.02277
   57    56 S   HC   _H29    45     1.09886   108.18816   -52.05306
   58    56 S   HC   _H30    46     1.09834   109.90536  -164.75640
   59    50 S   OS   _O23    67     1.45322   109.02989   164.90526
   60    52 S   CT   _C20    76     1.53434   113.92370   153.59429
   61    60 S   HC   _H49    77     1.09150   113.17894    77.07807
   62    60 S   HC   _H50    78     1.09465   111.12579   -45.40323
   63    60 S   HC   _H51    79     1.09631   109.83796  -163.98508
   64    52 S   CT   _C21    80     1.52990   113.86513   -78.36672
   65    64 S   HC   _H52    81     1.09309   112.23103   -68.06000
   66    64 S   HC   _H53    82     1.09569   110.28207   172.40028
   67    64 S   HC   _H54    83     1.09262   111.43292    53.29612
   68    54 S   CT   _C18    87     1.49869   109.78143   176.92553
   69    68 S   HC   _H43    88     1.09262   109.72782   -65.87750
   70    68 S   HC   _H44    89     1.09390   109.28651   175.05779
   71    68 S   HC   _H45    90     1.09236   110.22452    56.32444
   72    56 S   CM   _C5_    47     1.50535   115.48123    73.21462
   73    59 S   CO4  _C6_    68     1.36432   117.75263  -150.52273
   74    73 S   O    _O20    69     1.22321   126.40597    -0.00000
   75    72 S   CM   _C4_    48     1.34493   119.14835  -107.12705
   76    75 S   HC   _H26    49     1.08891   118.46966    -7.38807
   77    72 S   CT   _C16    63     1.50355   116.01351    71.62110
   78    77 S   HC   _H37    64     1.09165   111.49276   -54.85390
   79    77 S   HC   _H38    65     1.09289   113.14359  -176.32379
   80    77 S   HC   _H39    66     1.09544   109.51983    64.23538
   81    73 S   CT   _C17    70     1.49827   109.54156   179.50504
   82    81 S   HC   _H40    71     1.09265   109.77777   -66.39993
   83    81 S   HC   _H41    72     1.09377   109.34799   174.28368
   84    81 S   HC   _H42    73     1.09306   109.90674    55.51974
   85    75 S   CT   _C8_    50     1.49429   126.44902   162.66934
   86    85 S   HC   _H27    51     1.09626   110.02233    54.93657
   87    85 S   HC   _H28    52     1.09589   109.04689   170.27997
   88    85 S   CT   _C10    53     1.53901   112.31230   -67.60208
   89    88 S   HC   _H31    54     1.09262   109.59674    63.96258
   90    88 S   HC   _H32    55     1.10049   106.72662   174.23707
  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  10   5   4   3
  20   8   2   1   1  19   7  15  21   9   9   4   3   2   5   1
   8  15   7  11   8   5   4  12   5   4   7   7   3   2   1   3
   2   1   1   3   2   1   1  10   5   4  11   5   4   2   1   1
   3   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    88    40    43    47    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    50    85    88    89    90    40    43    44    45    46    47    48    52    49    54  
   38    39    41    88    40    43    47    49  
   36    37  
   37  
    0  
   39    41    42    50    51    56    88    40    43    47    59    52    53    60    64    49    54    55    68  
   41    42    50    40    52    49    54  
   43    44    45    46    47    48    49    41    75    85    86    87    88    89    90  
   42    50    51    56    57    58    72    59    73    52    53    60    61    62    63    64    65    66    67    49    54  
   50    51    56    59    52    53    60    64    49  
   44    45    46    47    48    85    88    89    90  
   45    46    47    88  
   46    47    88  
   47    88  
   48    85    88    89    90  
   88  
   54    55    68    69    70    71    50    52  
   51    56    57    58    72    75    77    59    73    74    81    52    53    60    64  
   56    57    58    72    59    73    52  
   53    60    61    62    63    64    65    66    67    56    59  
   60    61    62    63    64    65    66    67  
   55    68    69    70    71  
   68    69    70    71  
   57    58    72    75    76    85    77    78    79    80    59    73  
   58    72    75    77    59  
   72    75    77    59  
   73    74    81    82    83    84    72  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71  
   70    71  
   71  
    0  
   75    76    85    86    87    88    77    78    79    80  
   74    81    82    83    84  
   81    82    83    84  
   76    85    86    87    88    89    90    77    78    79    80  
   85    86    87    88    77  
   78    79    80    85  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   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    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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    49   320.000  1.410
   41    42   340.000  1.090
   41    50   268.000  1.529
   41    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    72   317.000  1.510
   72    75   549.000  1.340
   72    77   317.000  1.510
   75    76   340.000  1.080
   75    85   317.000  1.510
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    40   268.000  1.529
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   59    73   214.000  1.327
   73    74   570.000  1.229
   73    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   52    53   340.000  1.090
   52    60   268.000  1.529
   52    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   49    54   214.000  1.327
   54    55   570.000  1.229
   54    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    49    50.00000  109.50000
   33    40    88    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    50    58.35000  112.70000
   38    41    52    58.35000  112.70000
   38    49    54    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    50    51    37.50000  110.70000
   41    50    56    58.35000  112.70000
   41    50    59    50.00000  109.50000
   41    52    53    37.50000  110.70000
   41    52    60    58.35000  112.70000
   41    52    64    58.35000  112.70000
   50    41    42    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    72    70.00000  112.02700
   50    59    73    83.00000  116.90000
   56    50    51    37.50000  110.70000
   56    72    75    70.00000  124.00000
   56    72    77    65.00000  117.92700
   58    56    57    33.00000  107.80000
   72    56    57    35.00000  109.50000
   72    56    58    35.00000  109.50000
   72    75    76    35.00000  120.00000
   72    75    85    70.00000  124.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    85    86    35.00000  109.50000
   75    85    87    35.00000  109.50000
   75    85    88    70.00000  112.02700
   85    75    76    35.00000  117.00000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    40    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   88    40    43    58.35000  112.70000
   88    40    47    50.00000  109.50000
   90    88    89    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    88    89    37.50000  110.70000
   40    88    90    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
   77    72    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    56    50.00000  109.50000
   59    73    74    83.00000  123.40000
   59    73    81    81.00000  111.40000
   73    81    82    35.00000  109.50000
   73    81    83    35.00000  109.50000
   73    81    84    35.00000  109.50000
   81    73    74    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   52    41    42    37.50000  110.70000
   52    41    50    58.35000  112.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   52    64    65    37.50000  110.70000
   52    64    66    37.50000  110.70000
   52    64    67    37.50000  110.70000
   60    52    53    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    52    53    37.50000  110.70000
   64    52    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   49    38    39    35.00000  109.50000
   49    38    41    50.00000  109.50000
   49    54    55    83.00000  123.40000
   49    54    68    81.00000  111.40000
   54    68    69    35.00000  109.50000
   54    68    70    35.00000  109.50000
   54    68    71    35.00000  109.50000
   68    54    55    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    49   0.56750  1.0 1.0
   29    33    38    49  -0.07550 -1.0 2.0
   29    33    38    49   0.20000  1.0 3.0
   29    33    40    88   0.44750  1.0 1.0
   29    33    40    88  -0.17800 -1.0 2.0
   29    33    40    88   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    50   0.56750  1.0 1.0
   33    38    41    50  -0.07550 -1.0 2.0
   33    38    41    50   0.20000  1.0 3.0
   33    38    41    52   0.56750  1.0 1.0
   33    38    41    52  -0.07550 -1.0 2.0
   33    38    41    52   0.20000  1.0 3.0
   33    38    49    54  -0.25900  1.0 1.0
   33    38    49    54  -0.47000 -1.0 2.0
   33    38    49    54   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    49   0.23400  1.0 3.0
   34    33    40    88   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    88   0.56750  1.0 1.0
   38    33    40    88  -0.07550 -1.0 2.0
   38    33    40    88   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    47   0.86500  1.0 1.0
   38    33    40    47  -0.17500 -1.0 2.0
   38    33    40    47   0.20800  1.0 3.0
   38    41    50    51   0.15000  1.0 3.0
   38    41    50    56   0.56750  1.0 1.0
   38    41    50    56  -0.07550 -1.0 2.0
   38    41    50    56   0.20000  1.0 3.0
   38    41    50    59   0.62750  1.0 1.0
   38    41    50    59  -0.30950 -1.0 2.0
   38    41    50    59   0.27300  1.0 3.0
   38    41    52    53   0.15000  1.0 3.0
   38    41    52    60   0.56750  1.0 1.0
   38    41    52    60  -0.07550 -1.0 2.0
   38    41    52    60   0.20000  1.0 3.0
   38    41    52    64   0.56750  1.0 1.0
   38    41    52    64  -0.07550 -1.0 2.0
   38    41    52    64   0.20000  1.0 3.0
   38    49    54    55   3.00000 -1.0 2.0
   38    49    54    68   1.63150  1.0 1.0
   38    49    54    68   2.92000 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    50   0.15000  1.0 3.0
   39    38    41    52   0.15000  1.0 3.0
   39    38    49    54   0.08050  1.0 3.0
   41    38    49    54  -0.25900  1.0 1.0
   41    38    49    54  -0.47000 -1.0 2.0
   41    38    49    54   0.11750  1.0 3.0
   41    50    56    57   0.15000  1.0 3.0
   41    50    56    58   0.15000  1.0 3.0
   41    50    56    72   0.34400  1.0 1.0
   41    50    56    72   0.09450 -1.0 2.0
   41    50    56    72   0.11100  1.0 3.0
   41    50    59    73  -0.25900  1.0 1.0
   41    50    59    73  -0.47000 -1.0 2.0
   41    50    59    73   0.11750  1.0 3.0
   41    52    60    61   0.15000  1.0 3.0
   41    52    60    62   0.15000  1.0 3.0
   41    52    60    63   0.15000  1.0 3.0
   41    52    64    65   0.15000  1.0 3.0
   41    52    64    66   0.15000  1.0 3.0
   41    52    64    67   0.15000  1.0 3.0
   42    41    50    51   0.15000  1.0 3.0
   42    41    50    56   0.15000  1.0 3.0
   42    41    50    59   0.23400  1.0 3.0
   42    41    52    53   0.15000  1.0 3.0
   42    41    52    60   0.15000  1.0 3.0
   42    41    52    64   0.15000  1.0 3.0
   50    41    52    53   0.15000  1.0 3.0
   50    41    52    60   0.56750  1.0 1.0
   50    41    52    60  -0.07550 -1.0 2.0
   50    41    52    60   0.20000  1.0 3.0
   50    41    52    64   0.56750  1.0 1.0
   50    41    52    64  -0.07550 -1.0 2.0
   50    41    52    64   0.20000  1.0 3.0
   50    56    72    75   0.09850  1.0 1.0
   50    56    72    75   0.15250 -1.0 2.0
   50    56    72    75  -0.50650  1.0 3.0
   50    56    72    77   0.46850  1.0 1.0
   50    56    72    77   0.08550 -1.0 2.0
   50    56    72    77   0.09800  1.0 3.0
   50    59    73    74   3.00000 -1.0 2.0
   50    59    73    81   1.63150  1.0 1.0
   50    59    73    81   2.92000 -1.0 2.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    72   0.15000  1.0 3.0
   51    50    59    73   0.08050  1.0 3.0
   56    50    59    73  -0.25900  1.0 1.0
   56    50    59    73  -0.47000 -1.0 2.0
   56    50    59    73   0.11750  1.0 3.0
   56    72    75    76   7.00000 -1.0 2.0
   56    72    75    85   7.00000 -1.0 2.0
   56    72    77    78   0.34800  1.0 3.0
   56    72    77    79   0.34800  1.0 3.0
   56    72    77    80   0.34800  1.0 3.0
   57    56    72    75   0.00000  1.0 1.0
   57    56    72    77   0.34800  1.0 3.0
   58    56    72    75   0.00000  1.0 1.0
   58    56    72    77   0.34800  1.0 3.0
   72    75    85    86   0.00000  1.0 1.0
   72    75    85    87   0.00000  1.0 1.0
   72    75    85    88   0.09850  1.0 1.0
   72    75    85    88   0.15250 -1.0 2.0
   72    75    85    88  -0.50650  1.0 3.0
   75    72    77    78   0.00000  1.0 1.0
   75    72    77    79   0.00000  1.0 1.0
   75    72    77    80   0.00000  1.0 1.0
   75    85    88    89   0.15000  1.0 3.0
   75    85    88    90   0.15000  1.0 3.0
   75    85    88    40   0.34400  1.0 1.0
   75    85    88    40   0.09450 -1.0 2.0
   75    85    88    40   0.11100  1.0 3.0
   76    75    85    86   0.33100  1.0 3.0
   76    75    85    87   0.33100  1.0 3.0
   76    75    85    88   0.00000  1.0 1.0
   85    88    40    33   0.56750  1.0 1.0
   85    88    40    33  -0.07550 -1.0 2.0
   85    88    40    33   0.20000  1.0 3.0
   85    88    40    43   0.56750  1.0 1.0
   85    88    40    43  -0.07550 -1.0 2.0
   85    88    40    43   0.20000  1.0 3.0
   85    88    40    47   0.86500  1.0 1.0
   85    88    40    47  -0.17500 -1.0 2.0
   85    88    40    47   0.20800  1.0 3.0
   86    85    88    89   0.15000  1.0 3.0
   86    85    88    90   0.15000  1.0 3.0
   86    85    88    40   0.15000  1.0 3.0
   87    85    88    89   0.15000  1.0 3.0
   87    85    88    90   0.15000  1.0 3.0
   87    85    88    40   0.15000  1.0 3.0
   88    40    43    44   0.15000  1.0 3.0
   88    40    43    45   0.15000  1.0 3.0
   88    40    43    46   0.15000  1.0 3.0
   88    40    47    48  -0.11600  1.0 1.0
   88    40    47    48  -0.09450 -1.0 2.0
   88    40    47    48   0.21250  1.0 3.0
   89    88    40    33   0.15000  1.0 3.0
   89    88    40    43   0.15000  1.0 3.0
   89    88    40    47   0.23400  1.0 3.0
   90    88    40    33   0.15000  1.0 3.0
   90    88    40    43   0.15000  1.0 3.0
   90    88    40    47   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.56750  1.0 1.0
   40    33    38    41  -0.07550 -1.0 2.0
   40    33    38    41   0.20000  1.0 3.0
   40    33    38    49   0.62750  1.0 1.0
   40    33    38    49  -0.30950 -1.0 2.0
   40    33    38    49   0.27300  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  1.0 3.0
   77    72    75    76   7.00000 -1.0 2.0
   77    72    75    85   7.00000 -1.0 2.0
   59    50    56    57   0.23400  1.0 3.0
   59    50    56    58   0.23400  1.0 3.0
   59    50    56    72   0.61850  1.0 1.0
   59    50    56    72  -0.22750 -1.0 2.0
   59    50    56    72   0.15300  1.0 3.0
   59    73    81    82   0.00000  1.0 1.0
   59    73    81    83   0.00000  1.0 1.0
   59    73    81    84   0.00000  1.0 1.0
   74    73    81    82   0.00000  1.0 1.0
   74    73    81    83   0.00000  1.0 1.0
   74    73    81    84   0.00000  1.0 1.0
   52    41    50    51   0.15000  1.0 3.0
   52    41    50    56   0.56750  1.0 1.0
   52    41    50    56  -0.07550 -1.0 2.0
   52    41    50    56   0.20000  1.0 3.0
   52    41    50    59   0.62750  1.0 1.0
   52    41    50    59  -0.30950 -1.0 2.0
   52    41    50    59   0.27300  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   53    52    64    65   0.15000  1.0 3.0
   53    52    64    66   0.15000  1.0 3.0
   53    52    64    67   0.15000  1.0 3.0
   60    52    64    65   0.15000  1.0 3.0
   60    52    64    66   0.15000  1.0 3.0
   60    52    64    67   0.15000  1.0 3.0
   64    52    60    61   0.15000  1.0 3.0
   64    52    60    62   0.15000  1.0 3.0
   64    52    60    63   0.15000  1.0 3.0
   49    38    41    42   0.23400  1.0 3.0
   49    38    41    50   0.62750  1.0 1.0
   49    38    41    50  -0.30950 -1.0 2.0
   49    38    41    50   0.27300  1.0 3.0
   49    38    41    52   0.62750  1.0 1.0
   49    38    41    52  -0.30950 -1.0 2.0
   49    38    41    52   0.27300  1.0 3.0
   49    54    68    69   0.00000  1.0 1.0
   49    54    68    70   0.00000  1.0 1.0
   49    54    68    71   0.00000  1.0 1.0
   55    54    68    69   0.00000  1.0 1.0
   55    54    68    70   0.00000  1.0 1.0
   55    54    68    71   0.00000  1.0 1.0
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
   56    77    72    75   1.10000 -1.0 2.0
   85    76    75    72   1.10000 -1.0 2.0
   59    81    73    74  10.50000 -1.0 2.0
   49    68    54    55  10.50000 -1.0 2.0
END
