* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    198    316     586
    1     0 S   NP   _N1_     1    29.68147    93.26110   -25.71794
    2     1 S   H    _HN1     2     1.02776   121.03877   -86.27545
    3     1 S   H    _H1_     3     1.02970    83.16108    20.98708
    4     1 S   H    _H2_     4     1.02820    24.26154  -148.99711
    5     1 S   CT   _CA1     5     1.50175   117.00974   130.30276
    6     5 S   HC   _HA1     6     1.09584   105.17522    84.76556
    7     5 S   CO3  _C1_     7     1.53762   112.46060   -35.20538
    8     7 S   O2Z  _O11     8     1.26349   115.01906   -41.26011
    9     7 S   O2Z  _O12     9     1.26260   114.91170   137.71919
   10     5 S   CT   _CB1    10     1.53054   107.29799  -157.52834
   11    10 S   HC   HB11    11     1.09822   109.03140   -51.86855
   12    10 S   HC   HB12    12     1.09827   110.45545    64.51534
   13    10 S   CT   _CG1    13     1.53025   112.90981  -173.15381
   14    13 S   HC   HG11    14     1.09595   110.29788   -66.31214
   15    13 S   HC   HG12    15     1.09643   110.14837    52.96547
   16    13 S   C    _CD1    16     1.51796   112.16827   172.93736
   17    16 S   O    _OE1    17     1.22755   123.18032    -8.82136
   18    16 S   N    _N2_    18     1.38673   111.87283   172.33825
   19    18 S   H    _HN2    19     1.01562   119.06906     2.14238
   20    18 S   CT1  _CA2    20     1.46045   123.24754  -179.98022
   21    20 S   HC   _HA2    21     1.09622   109.32345     5.01770
   22    20 S   C    _C2_    22     1.53517   108.88395  -110.13324
   23    22 S   O    _O2_    23     1.23062   122.13540  -142.98024
   24    20 S   CT   _CB2    32     1.53410   111.88549   127.21810
   25    24 S   HC   HB21    33     1.09652   109.79030    64.30300
   26    24 S   HC   HB22    34     1.09597   110.39020  -178.60436
   27    22 S   N    _N3_    24     1.38477   113.65652    44.41450
   28    27 S   H    _HN3    25     1.01472   119.10569     0.03426
   29    24 S   S    _SG2    35     1.82952   115.59549   -56.12471
   30    27 S   CT   _CA3    26     1.45432   123.25231   175.04164
   31    30 S   HC   HA31    27     1.09536   109.10689    28.04194
   32    30 S   HC   HA32    28     1.09496   107.18483   145.01728
   33    29 S   CT   _C22    36     1.84697   100.02776   -55.48805
   34    33 S   HC   _H27    37     1.09179   105.19980   -41.80452
   35    33 S   HC   _H28    38     1.09449   106.10719    72.33398
   36    30 S   CO3  _C3_    29     1.52928   113.06579   -95.32984
   37    36 S   O2Z  _O31    30     1.26406   115.37222   -46.62285
   38    36 S   O2Z  _O32    31     1.26351   115.01704   134.27564
   39    33 S   CT   _C21    39     1.56653   116.56294  -164.60557
   40    39 S   OM   _O35    40     1.32750   106.08926   -62.71763
   41    39 S   CT   _C20    41     1.56104   111.34465    55.17590
   42    41 S   HC   _H25    42     1.09778   111.03207    16.39980
   43    41 S   HC   _H26    43     1.09961   112.02791  -102.51123
   44    41 S   CT   _C19    44     1.53635   110.74887   135.87214
   45    44 S   HC   _H9_    45     1.09500   109.93376   171.71748
   46    44 S   CT   _C18    46     1.53168   111.34718   -66.36768
   47    46 S   HC   _H23    47     1.09603   109.95499   -71.22160
   48    46 S   HC   _H24    48     1.09319   108.28848   171.45043
   49    46 S   CT   _C9_    49     1.54504   109.45648    49.48799
   50    49 S   HC   _H5_    50     1.09187   104.50431   -94.24188
   51    39 S   CT   _C8_    51     1.63500   114.49515   176.36773
   52    51 S   CT   _C7_    52     1.56480   112.89558    52.10376
   53    52 S   HC   _H4_    53     1.09576   109.22279    26.93870
   54    51 S   CO   _C23    90     1.58694   107.46302   176.91790
   55    54 S   HC   _H10    91     1.09172   109.91417   165.43884
   56    52 S   CT   _C6_    54     1.53054   112.66380   -93.88640
   57    56 S   HC   _H14    55     1.09727   109.43584   177.85005
   58    56 S   HC   _H15    56     1.09495   109.17953    63.43793
   59    52 S   OS   _O39    83     1.44665   110.65815   145.24506
   60    44 S   OS   _O36    92     1.42959   109.18588    53.77929
   61    54 S   OS   _O37    93     1.44338   111.13425   -76.06381
   62    56 S   CT   _C5_    57     1.54564   115.62427   -58.17443
   63    62 S   HC   _H3_    58     1.09756   103.50640   148.50369
   64    59 S   CO4  _C26    84     1.36212   118.21304  -150.51072
   65    64 S   O    _O40    85     1.22297   126.71196    -1.28557
   66    61 S   CO4  _C24    94     1.35987   117.01370  -164.23401
   67    66 S   O    _O38    95     1.22335   126.65251     1.25461
   68    49 S   CT   _C10    59     1.57720   116.66472   152.76113
   69    62 S   CT   _C4_    79     1.53663   110.69831  -100.72464
   70    69 S   HC   _H11    80     1.09351   112.16060    63.22363
   71    69 S   HC   _H12    81     1.09599   110.41502   -56.36512
   72    69 S   HC   _H13    82     1.09435   111.28258  -174.93604
   73    64 S   CT   _C27    86     1.49850   109.27170   179.02924
   74    73 S   HC   _H32    87     1.09290   109.87034   -59.18087
   75    73 S   HC   _H33    88     1.09372   109.36860  -178.14185
   76    73 S   HC   _H34    89     1.09281   109.80788    62.68548
   77    66 S   CT   _C25    96     1.49842   109.35304  -179.19643
   78    77 S   HC   _H29    97     1.09296   109.82146   -61.07009
   79    77 S   HC   _H30    98     1.09375   109.37247   179.86294
   80    77 S   HC   _H31    99     1.09291   109.83058    60.81922
   81    68 S   CT   _C12    60     1.58148   112.11442    54.53112
   82    81 S   HC   _H6_    61     1.09910   107.67399   176.19101
   83    68 S   CT   _C11    75     1.55301   111.97134   -63.30713
   84    83 S   HC   _H16    76     1.09667   111.22266   169.41444
   85    83 S   HC   _H17    77     1.09339   112.46751    50.81003
   86    83 S   HC   _H18    78     1.08878   113.21806   -71.13129
   87    81 S   CT   _C13    62     1.52818   118.47057    53.44054
   88    87 S   HC   _H19    63     1.09376   113.16685    76.84876
   89    87 S   HC   _H20    64     1.09344   111.60431   -45.22945
   90    81 S   OS   _O34    74     1.43944   111.89716   -68.02732
   91    87 S   CT   _C14    65     1.51504   103.23450  -160.56750
   92    91 S   HC   _H7_    66     1.09486   112.42400   149.31298
   93    91 S   CM   _C15    67     1.48403   115.89018   -83.11278
   94    93 S   HC   _H21    68     1.07894   125.78612   -63.61770
   95    93 S   CM   _C16    69     1.32687   108.46779   118.70965
   96    95 S   HC   _H22    70     1.07557   128.49772   177.75493
   97    95 S   OS   _O33    71     1.37681   116.48754    -1.55205
   98    91 S   CO   _C17    72     1.53026   103.86175    26.99425
   99    98 S   HC   _H8_    73     1.09526   112.34910   109.08371
  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   7   5   4   3
  12   5   4   2   1   1  19   8  12   6   5  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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    49    51    52    54  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    51    52    53    56    68    59    54    55    60    61  
   41    42    43    44    49    51    52    54  
   42    43    44    45    46    47    48    49    51    52    54    60  
   43    44    45    46    51    60  
   44    45    46    51    60  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.170000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   570.000  1.307
   39    41   268.000  1.529
   39    51   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    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
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    51    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    44    58.35000  112.70000
   39    51    49    58.35000  112.70000
   39    51    52    58.35000  112.70000
   39    51    54    75.00000  109.43000
   41    39    40    50.00000  109.50000
   41    44    45    37.50000  110.70000
   41    44    46    58.35000  112.70000
   41    44    60    50.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    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    39    40    50.00000  109.50000
   51    39    41    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
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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
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   54    61    66    77   2.92000 -1.0 2.0
   55    54    60    44   0.37050  1.0 3.0
   55    54    61    66   0.08050  1.0 3.0
   60    44    46    47   0.23400  1.0 3.0
   60    44    46    48   0.23400  1.0 3.0
   60    44   -46    49   0.62750  1.0 1.0
   60    44   -46    49  -0.30950 -1.0 2.0
   60    44   -46    49   0.27300  1.0 3.0
   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
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
   37    30    36    38  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
