* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    198    316     586
    1     0 S   NP   _N1_     1    28.75229    96.82568   -23.78828
    2     1 S   H    _HN1     2     1.02949    71.15986     4.87480
    3     1 S   H    _H1_     3     1.02828    37.71074   166.53797
    4     1 S   H    _H2_     4     1.02794   109.08968   -98.67057
    5     1 S   CT   _CA1     5     1.50126   135.18143   105.22775
    6     5 S   HC   _HA1     6     1.09575   105.16629    94.32546
    7     5 S   CO3  _C1_     7     1.53769   112.42961   -25.89089
    8     7 S   O2Z  _O11     8     1.26378   115.00500   -43.36027
    9     7 S   O2Z  _O12     9     1.26235   114.93596   135.62357
   10     5 S   CT   _CB1    10     1.53056   107.40300  -147.71655
   11    10 S   HC   HB11    11     1.09842   109.33331   -49.40242
   12    10 S   HC   HB12    12     1.09812   110.48155    67.18830
   13    10 S   CT   _CG1    13     1.53025   112.63960  -170.33187
   14    13 S   HC   HG11    14     1.09571   110.73207   -67.16509
   15    13 S   HC   HG12    15     1.09670   109.70721    52.09260
   16    13 S   C    _CD1    16     1.51811   111.96366   172.57495
   17    16 S   O    _OE1    17     1.22765   123.16148    12.32339
   18    16 S   N    _N2_    18     1.38637   111.85206  -167.75024
   19    18 S   H    _HN2    19     1.01580   119.07329     0.79475
   20    18 S   CT1  _CA2    20     1.46226   123.35172   176.68111
   21    20 S   HC   _HA2    21     1.09747   109.22335     6.84751
   22    20 S   C    _C2_    22     1.53689   108.98421  -108.59695
   23    22 S   O    _O2_    23     1.23085   122.22781  -150.28530
   24    20 S   CT   _CB2    32     1.53476   111.74397   128.72786
   25    24 S   HC   HB21    33     1.09497   109.56927    56.99648
   26    24 S   HC   HB22    34     1.09355   109.60424   175.75333
   27    22 S   N    _N3_    24     1.38311   113.89528    37.28579
   28    27 S   H    _HN3    25     1.01543   119.59771    -3.43028
   29    24 S   S    _SG2    35     1.82994   111.04621   -63.43359
   30    27 S   CT   _CA3    26     1.45276   123.28674   177.13755
   31    30 S   HC   HA31    27     1.09548   107.52915   -64.42214
   32    30 S   HC   HA32    28     1.09555   107.97909    52.03410
   33    29 S   CT   _C21    36     1.89294   102.46398  -166.15712
   34    30 S   CO3  _C3_    29     1.52975   114.03979   174.02535
   35    34 S   O2Z  _O31    30     1.26384   116.08033    -0.23903
   36    34 S   O2Z  _O32    31     1.26426   114.41612   179.81548
   37    33 S   CT   _C20    37     1.57315   106.69264    63.06534
   38    37 S   HC   _H25    38     1.09730   112.80373    14.47015
   39    37 S   HC   _H26    39     1.09697   110.55529  -104.12246
   40    33 S   CT   _C22    96     1.60489   109.39450   -51.73832
   41    40 S   OM   _O35    97     1.32318   111.76526   -62.37932
   42    40 S   HC   _H27    98     1.10008   105.99226   168.50373
   43    40 S   HC   _H28    99     1.10231   105.77769    64.94552
   44    37 S   CT   _C19    40     1.52872   110.70668   135.82478
   45    44 S   HC   _H9_    41     1.09496   110.13137   166.81898
   46    44 S   CT   _C18    42     1.52657   110.41778   -71.63508
   47    46 S   HC   _H23    43     1.09601   110.00884   -71.00145
   48    46 S   HC   _H24    44     1.09278   108.21883   171.71269
   49    46 S   CT   _C9_    45     1.54498   109.18371    49.58182
   50    49 S   HC   _H5_    46     1.09437   105.13547   -92.98597
   51    33 S   CT   _C8_    47     1.65511   111.80638   177.84705
   52    51 S   CT   _C7_    48     1.56652   114.56291    55.56153
   53    52 S   HC   _H4_    49     1.08925   110.03692    24.69116
   54    51 S   CO   _C23    86     1.57546   105.91118  -179.66604
   55    54 S   HC   _H10    87     1.09181   110.14508   164.43531
   56    52 S   CT   _C6_    50     1.53154   113.80408   -95.89636
   57    56 S   HC   _H14    51     1.09752   109.28404   178.79309
   58    56 S   HC   _H15    52     1.09367   109.35721    64.86214
   59    52 S   OS   _O39    79     1.44895   110.41687   143.12818
   60    44 S   OS   _O36    88     1.42936   109.02556    48.73425
   61    54 S   OS   _O37    89     1.44014   111.07936   -77.04381
   62    56 S   CT   _C5_    53     1.54225   116.01836   -57.23953
   63    62 S   HC   _H3_    54     1.09760   103.60252   146.73658
   64    59 S   CO4  _C26    80     1.36211   118.49363  -150.89233
   65    64 S   O    _O40    81     1.22275   126.73464    -1.49802
   66    61 S   CO4  _C24    90     1.36000   117.09565  -165.11931
   67    66 S   O    _O38    91     1.22323   126.59429     1.23859
   68    49 S   CT   _C10    55     1.58117   115.47432   153.59612
   69    62 S   CT   _C4_    75     1.53717   110.55863  -102.48423
   70    69 S   HC   _H11    76     1.09373   112.08360    62.85755
   71    69 S   HC   _H12    77     1.09604   110.40899   -56.66896
   72    69 S   HC   _H13    78     1.09425   111.36839  -175.25385
   73    64 S   CT   _C27    82     1.49851   109.26148   179.09065
   74    73 S   HC   _H32    83     1.09288   109.90498   -58.07522
   75    73 S   HC   _H33    84     1.09371   109.36860  -176.98416
   76    73 S   HC   _H34    85     1.09279   109.78281    63.77985
   77    66 S   CT   _C25    92     1.49838   109.33911  -178.99888
   78    77 S   HC   _H29    93     1.09296   109.84270   -60.23778
   79    77 S   HC   _H30    94     1.09372   109.37370  -179.27774
   80    77 S   HC   _H31    95     1.09291   109.80168    61.62869
   81    68 S   CT   _C12    56     1.58269   112.10177    55.02287
   82    81 S   HC   _H6_    57     1.09902   107.67709   175.80908
   83    68 S   CT   _C11    71     1.55406   112.16878   -62.82997
   84    83 S   HC   _H16    72     1.09672   111.20117   169.67907
   85    83 S   HC   _H17    73     1.09310   112.62538    51.17801
   86    83 S   HC   _H18    74     1.08857   113.26117   -70.86483
   87    81 S   CT   _C13    58     1.52807   118.45637    53.08525
   88    87 S   HC   _H19    59     1.09375   113.17299    76.67338
   89    87 S   HC   _H20    60     1.09343   111.58087   -45.40809
   90    81 S   OS   _O34    70     1.43950   111.99268   -68.45150
   91    87 S   CT   _C14    61     1.51516   103.22113  -160.74158
   92    91 S   HC   _H7_    62     1.09485   112.42079   149.30827
   93    91 S   CM   _C15    63     1.48405   115.89484   -83.11049
   94    93 S   HC   _H21    64     1.07892   125.77897   -63.64733
   95    93 S   CM   _C16    65     1.32687   108.47493   118.67212
   96    95 S   HC   _H22    66     1.07557   128.49626   177.76664
   97    95 S   OS   _O33    67     1.37681   116.48871    -1.55053
   98    91 S   CO   _C17    68     1.53031   103.86306    26.99200
   99    98 S   HC   _H8_    69     1.09526   112.34690   109.13586
  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
  22   2   1   1  16   7   6   8   3   2   1  12   6  12   6   5
  22   7  16  16   7   9   3  13   6   5   7   2   6  14   7   5
   4   5   4  16   5   2   1   1   3   2   1   1   3   2   1   1
  15   7   5   2   1   1  11   6   5   7   8   6   6   4   4   2
   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    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    51    52    54    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    49    50    51    52    53    56    68    59    54    55    60    61    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    49    51    52    54    60    40    41    42    43  
   39    44    45    46    51    60    40  
   44    45    46    51    60    40  
   41    42    43    44    49    51    52    54  
   42    43    51  
   43    51  
   51  
   45    46    47    48    49    50    51    68    54    55    60    61  
   46    47    48    49    54    60  
   47    48    49    50    51    52    62    68    81    83    54    60  
   48    49    50    51    68    60  
   49    50    51    68    60  
   50    51    52    53    56    62    63    68    81    82    87    90    83    84    85    86    69    59    54    55    60    61  
   51    52    62    68    81    83    54  
   52    53    56    57    58    62    68    81    83    59    64    54    55    60    61    66  
   53    56    57    58    62    63    68    69    59    64    65    73    54    55    60    61  
   56    57    58    62    59    64    54  
   55    60    61    66    67    77    56    59    68  
   60    61    66  
   57    58    62    63    68    81    83    69    70    71    72    59    64  
   58    62    63    68    69    59  
   62    63    68    69    59  
   64    65    73    74    75    76    62  
   61    66  
   66    67    77    78    79    80  
   63    68    81    82    87    90    83    84    85    86    69    70    71    72  
   68    81    83    69    70    71    72  
   65    73    74    75    76  
   73    74    75    76  
   67    77    78    79    80  
   77    78    79    80  
   81    82    87    88    89    91    98    90    83    84    85    86    69    70    71    72  
   70    71    72    81    83  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80  
   79    80  
   80  
    0  
   82    87    88    89    91    92    93    97    98    99    90    83    84    85    86  
   87    88    89    91    98    90    83  
   84    85    86    87    90  
   85    86  
   86  
    0  
   88    89    91    92    93    94    95    97    98    99    90  
   89    91    92    93    98    90  
   91    92    93    98    90  
   91    92    93    95    97    98    99  
   92    93    94    95    96    97    98    99  
   93    94    95    97    98    99  
   94    95    96    97    98    99  
   95    96    97    98  
   96    97    98    99  
   97    98  
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    60   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    68   268.000  1.529
   51    52   268.000  1.529
   51    54   250.000  1.527
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    69   268.000  1.529
   68    81   268.000  1.529
   68    83   268.000  1.529
   81    82   340.000  1.090
   81    87   268.000  1.529
   81    90   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    91   268.000  1.529
   91    92   340.000  1.090
   91    93   317.000  1.510
   91    98   250.000  1.527
   93    94   340.000  1.080
   93    95   549.000  1.340
   95    96   340.000  1.080
   95    97   440.000  1.360
   97    98   320.000  1.380
   98    99   340.000  1.090
   98    90   320.000  1.380
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   59    64   214.000  1.327
   64    65   570.000  1.229
   64    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   54    55   340.000  1.090
   54    60   320.000  1.380
   54    61   320.000  1.380
   61    66   214.000  1.327
   66    67   570.000  1.229
   66    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   40    41   570.000  1.307
   40    42   340.000  1.090
   40    43   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    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    51    49    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    75.00000  109.43000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    58.35000  112.70000
   37    44    60    50.00000  109.50000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    60    54    60.00000  109.50000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    68    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    58.35000  112.70000
   49    51    54    75.00000  109.43000
   49    68    62    58.35000  112.70000
   49    68    81    58.35000  112.70000
   49    68    83    58.35000  112.70000
   51    33    37    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    56    58.35000  112.70000
   51    52    59    50.00000  109.50000
   51    54    55    45.00000  112.01100
   51    54    60    90.00000  108.56700
   51    54    61    90.00000  108.56700
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    62    58.35000  112.70000
   52    59    64    83.00000  116.90000
   56    52    53    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    68    58.35000  112.70000
   56    62    69    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    68    81    58.35000  112.70000
   62    68    83    58.35000  112.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   68    49    50    37.50000  110.70000
   68    49    51    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    81    82    37.50000  110.70000
   68    81    87    58.35000  112.70000
   68    81    90    50.00000  109.50000
   68    83    84    37.50000  110.70000
   68    83    85    37.50000  110.70000
   68    83    86    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    91    58.35000  112.70000
   81    90    98    60.00000  109.50000
   87    81    82    37.50000  110.70000
   87    91    92    37.50000  110.70000
   87    91    93    70.00000  112.02700
   87    91    98    75.00000  109.43000
   89    87    88    33.00000  107.80000
   91    87    88    37.50000  110.70000
   91    87    89    37.50000  110.70000
   91    93    94    35.00000  117.00000
   91    93    95    70.00000  124.00000
   91    98    97    90.00000  108.56700
   91    98    99    45.00000  112.01100
   91    98    90    90.00000  108.56700
   93    91    92    35.00000  109.50000
   93    95    96    35.00000  120.00000
   93    95    97    80.00000  120.01400
   95    93    94    35.00000  120.00000
   95    97    98    85.00000  113.97000
   97    95    96    55.00000  109.52600
   97    98    99    35.00000  109.50000
   97    98    90    92.60000  111.55000
   98    91    92    45.00000  108.72000
   98    91    93    70.00000  112.02700
   90    81    82    35.00000  109.50000
   90    81    87    50.00000  109.50000
   90    98    99    35.00000  109.50000
   83    68    81    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    68    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    56    50.00000  109.50000
   59    64    65    83.00000  123.40000
   59    64    73    81.00000  111.40000
   64    73    74    35.00000  109.50000
   64    73    75    35.00000  109.50000
   64    73    76    35.00000  109.50000
   73    64    65    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   54    51    52    75.00000  109.43000
   54    61    66    95.00000  111.08000
   60    44    45    35.00000  109.50000
   60    44    46    50.00000  109.50000
   60    54    55    35.00000  109.50000
   61    54    55    35.00000  109.50000
   61    54    60    92.60000  111.55000
   61    66    67    83.00000  123.40000
   61    66    77    81.00000  111.40000
   66    77    78    35.00000  109.50000
   66    77    79    35.00000  109.50000
   66    77    80    35.00000  109.50000
   77    66    67    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   42    40    41    45.00000  125.66300
   43    40    41    45.00000  125.66300
   43    40    42    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
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   60    54    61    66  -1.83450  1.0 1.0
   60    54    61    66  -0.02700 -1.0 2.0
   60    54    61    66  -0.20100  1.0 3.0
   61    54    60    44  -0.81800  1.0 1.0
   61    66    77    78   0.00000  1.0 1.0
   61    66    77    79   0.00000  1.0 1.0
   61    66    77    80   0.00000  1.0 1.0
   67    66    77    78   0.00000  1.0 1.0
   67    66    77    79   0.00000  1.0 1.0
   67    66    77    80   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    51    49   0.56750  1.0 1.0
   40    33    51    49  -0.07550 -1.0 2.0
   40    33    51    49   0.20000  1.0 3.0
   40    33    51    52   0.56750  1.0 1.0
   40    33    51    52  -0.07550 -1.0 2.0
   40    33    51    52   0.20000  1.0 3.0
   40    33    51    54   3.97050  1.0 1.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   91    94    93    95   1.10000 -1.0 2.0
   97    96    95    93   1.10000 -1.0 2.0
   59    73    64    65  10.50000 -1.0 2.0
   61    77    66    67  10.50000 -1.0 2.0
END
