* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    146    225     425
    1     0 S   NP   _N1_     1    29.60424    91.28782   -24.88632
    2     1 S   H    _HN1     2     1.02776   118.19889   -83.97286
    3     1 S   H    _H1_     3     1.02962    96.49647    30.88678
    4     1 S   H    _H2_     4     1.02832    12.28716  -118.71743
    5     1 S   CT   _CA1     5     1.50125   109.95514   145.35251
    6     5 S   HC   _HA1     6     1.09577   105.22524    72.20885
    7     5 S   CO3  _C1_     7     1.53778   112.39458   -47.96870
    8     7 S   O2Z  _O11     8     1.26359   114.99492   -43.47591
    9     7 S   O2Z  _O12     9     1.26242   114.91996   135.68270
   10     5 S   CT   _CB1    10     1.53092   107.41633  -169.90704
   11    10 S   HC   HB11    11     1.09826   109.28094   -50.99690
   12    10 S   HC   HB12    12     1.09826   110.43743    65.53108
   13    10 S   CT   _CG1    13     1.53018   112.70045  -172.12501
   14    13 S   HC   HG11    14     1.09597   110.41021   -64.31535
   15    13 S   HC   HG12    15     1.09650   110.02469    54.92970
   16    13 S   C    _CD1    16     1.51801   112.28519   175.21406
   17    16 S   O    _OE1    17     1.22752   123.23997    -3.04382
   18    16 S   N    _N2_    18     1.38710   111.66985   177.18631
   19    18 S   H    _HN2    19     1.01589   119.10624     0.54894
   20    18 S   CT1  _CA2    20     1.46147   123.17378  -179.87180
   21    20 S   HC   _HA2    21     1.09759   109.16271   -11.62075
   22    20 S   C    _C2_    22     1.53452   108.58076  -127.11546
   23    22 S   O    _O2_    23     1.23025   122.15227  -147.14975
   24    20 S   CT   _CB2    32     1.53624   112.05265   110.18851
   25    24 S   HC   HB21    33     1.09534   109.97305    58.32149
   26    24 S   HC   HB22    34     1.09349   109.21570   176.98812
   27    22 S   N    _N3_    24     1.38476   113.41472    40.28530
   28    27 S   H    _HN3    25     1.01528   118.90044    -0.93545
   29    24 S   S    _SG2    35     1.82754   111.36521   -62.08960
   30    27 S   CT   _CA3    26     1.45458   123.59457   174.92835
   31    30 S   HC   HA31    27     1.09511   109.41443    20.84347
   32    30 S   HC   HA32    28     1.09499   107.08485   137.89544
   33    29 S   CT   _C15    36     1.84947   102.55726  -162.88828
   34    30 S   CO3  _C3_    29     1.52921   112.97005  -102.74065
   35    34 S   O2Z  _O31    30     1.26412   115.35746   -45.10675
   36    34 S   O2Z  _O32    31     1.26345   115.00913   135.76592
   37    33 S   CT   _C14    37     1.56752   113.10410  -179.58693
   38    37 S   HC   _H32    38     1.10589   103.41962   174.31921
   39    33 S   CT   _C17    77     1.54003   109.25846   -57.30516
   40    39 S   HC   _H36    78     1.09557   112.34357    65.08417
   41    39 S   HC   _H37    79     1.09555   112.12110   -57.00254
   42    39 S   HC   _H38    80     1.09708   110.72251  -176.91206
   43    37 S   CT   _C13    39     1.56529   115.32687   -72.74118
   44    43 S   HC   _H31    40     1.10088   104.80519  -156.12144
   45    37 S   CO4  _C12    64     1.52651   115.12150    61.55400
   46    45 S   O    _O23    65     1.22232   125.55158   -40.65778
   47    43 S   CA   _C7_    41     1.52096   115.76986    88.25930
   48    43 S   CM   _C10    53     1.51220   108.99269   -41.99831
   49    45 S   OS   _O26    66     1.36719   109.12493   139.92249
   50    47 S   CA   _C5_    42     1.42076   123.90805   -94.75268
   51    50 S   HA   _H29    43     1.09056   119.30830    -0.33220
   52    48 S   CM   _C11    54     1.34887   125.09906    16.29885
   53    48 S   NO2  _N21    61     1.44640   115.64600  -161.65505
   54    53 S   ON   _O22    62     1.23718   116.93962    57.79734
   55    53 S   ON   _O24    63     1.23808   117.45097  -120.76489
   56    49 S   CT   _C20    67     1.44220   117.25572   179.87180
   57    56 S   HC   _H45    68     1.09665   110.12418   -38.42719
   58    50 S   CA   _C4_    44     1.42149   124.65806   179.42427
   59    58 S   HA   _H28    45     1.08959   118.17242  -179.23459
   60    33 S   NE   _N20    55     1.46427   109.21835    60.84876
   61    60 S   H    _H46    56     1.01569   117.82174   -79.35117
   62    52 S   CT   _C16    57     1.50864   125.81796  -175.93736
   63    62 S   HC   _H33    58     1.09619   110.27679   135.95122
   64    62 S   HC   _H34    59     1.09321   113.54966    16.93546
   65    62 S   HC   _H35    60     1.09489   110.00235  -104.86599
   66    56 S   CT   _C18    69     1.52398   109.42380    83.12940
   67    66 S   HC   _H39    70     1.09564   110.92753    56.26202
   68    66 S   HC   _H40    71     1.09428   111.22064   177.42846
   69    66 S   HC   _H41    72     1.09487   110.88382   -61.97231
   70    56 S   CT   _C19    73     1.52308   107.23531  -156.55329
   71    70 S   HC   _H42    74     1.09571   111.05287   -58.76065
   72    70 S   HC   _H43    75     1.09420   111.32731   179.91153
   73    70 S   HC   _H44    76     1.09525   110.39061    59.27854
   74    58 S   CA   _C6_    46     1.40146   123.22798     0.72009
   75    74 S   HA   _H30    47     1.08220   122.50296   179.97202
   76    74 S   CB   _C8_    48     1.40393   114.06613     0.44937
   77    47 S   CB   _C9_    49     1.41999   124.04983    86.40536
   78    77 S   N5A  _N19    50     1.34063   129.14311     0.69295
   79    78 S   OA   _O25    51     1.38094   106.31009  -179.56479
   80    76 S   N5A  _N18    52     1.33880   128.86547   179.37099
  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  12   5   4   3
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  13  12
  10   8   4   9   4   1   1   9   8   6   3   5   1   3   2   1
   1   7   3   2   1   3   2   1   1   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    60    61    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    60    61    62    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    77    48    52    60    61    53    45    46    49    56    39    40    41    42  
   43    44    47    48    60    45    46    49    39  
   40    41    42    43    45    52    60    61  
   41    42    60  
   42    60  
   60  
   44    47    50    51    58    76    77    78    48    52    60    62    53    54    55    45    46    49  
   47    50    77    48    52    53    45  
   46    49    56    57    66    70    47    48    60  
   49    56  
   50    51    58    59    74    76    77    78    79    80    48    52    53  
   52    60    61    62    63    64    65    53    54    55    50    77  
   56    57    66    67    68    69    70    71    72    73  
   51    58    59    74    75    76    77    78  
   58    59    74    77  
   60    61    62    63    64    65    53    54    55  
   54    55    60    62  
   55  
    0  
   57    66    67    68    69    70    71    72    73  
   66    67    68    69    70    71    72    73  
   59    74    75    76    77    80  
   74    75    76  
   61    62    63    64    65  
   62  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80  
   76    77    80  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    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   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.344200   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.290900   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.074000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.155200   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.2500   0.1200   0.449100   1.8650   1.6500   0.020864068  -0.347800883
   54   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   55   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700  -0.074000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.155200   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.476100   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.246900   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.522500   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.522500   2.5000   1.7750   0.001000000  -0.843144165
   78   3.2800   0.1700  -0.399000   1.8000   1.6000   0.001000000  -0.511443539
   79   3.0000   0.1700   0.049000   1.7000   1.5000   0.001000000  -0.126889456
   80   3.2800   0.1700  -0.399000   1.8000   1.6000   0.001000000  -0.511443539
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    60   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    77   475.000  1.379
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    74   469.000  1.400
   74    75   367.000  1.080
   74    76   475.000  1.379
   76    77   400.000  1.418
   76    80   515.000  1.335
   77    78   515.000  1.335
   78    79   462.000  1.399
   79    80   462.000  1.399
   48    52   549.000  1.340
   48    53   325.000  1.425
   52    60   425.000  1.378
   52    62   317.000  1.510
   60    61   434.000  1.010
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    54   550.000  1.225
   53    55   550.000  1.225
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    66   268.000  1.529
   56    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    60    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    60    52    50.00000  121.00000
   33    60    61    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    77    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    53    70.00000  113.98000
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    58    63.00000  120.00000
   47    77    76    65.00000  118.98700
   47    77    78    60.00000  134.84400
   50    58    59    35.00000  120.00000
   50    58    74    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    74    75    35.00000  120.00000
   58    74    76    70.00000  117.01800
   74    58    59    35.00000  120.00000
   74    76    77    65.00000  118.98700
   74    76    80    60.00000  134.84400
   76    74    75    40.00000  121.44600
   76    77    78    80.00000  113.57000
   76    80    79   120.00000  103.45200
   77    47    50    70.00000  117.01800
   77    78    79   120.00000  103.45200
   78    79    80   120.00000  111.70000
   80    76    77    80.00000  113.57000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    60    70.00000  124.03900
   48    52    62    70.00000  124.00000
   48    53    54    90.00000  119.02900
   48    53    55    90.00000  119.02900
   52    60    61    35.00000  114.50000
   52    62    63    35.00000  109.50000
   52    62    64    35.00000  109.50000
   52    62    65    35.00000  109.50000
   60    33    37    80.00000  111.61500
   62    52    60    75.00000  116.24600
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    48    52    70.00000  118.30600
   55    53    54    80.00000  125.30000
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    56    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    56    57    35.00000  109.50000
   49    56    66    50.00000  109.50000
   49    56    70    50.00000  109.50000
   56    66    67    37.50000  110.70000
   56    66    68    37.50000  110.70000
   56    66    69    37.50000  110.70000
   56    70    71    37.50000  110.70000
   56    70    72    37.50000  110.70000
   56    70    73    37.50000  110.70000
   66    56    57    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    56    57    37.50000  110.70000
   70    56    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    60    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    60    52  -0.12500  1.0 1.0
   29    33    60    52  -0.12500 -1.0 2.0
   29    33    60    52   0.25000  1.0 3.0
   29    33    60    61  -0.12500  1.0 1.0
   29    33    60    61  -0.12500 -1.0 2.0
   29    33    60    61   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    60    52   0.25450  1.0 1.0
   37    33    60    52  -0.61700 -1.0 2.0
   37    33    60    52  -0.23550  1.0 3.0
   37    33    60    61   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    77   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    53   0.09700  1.0 1.0
   37    43    48    53   0.15600 -1.0 2.0
   37    43    48    53  -0.50800  1.0 3.0
   37    45    49    56   1.63150  1.0 1.0
   37    45    49    56   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    58   3.62500 -1.0 2.0
   43    47    77    76   3.62500 -1.0 2.0
   43    47    77    78   3.62500 -1.0 2.0
   43    48    52    60   7.00000 -1.0 2.0
   43    48    52    62   7.00000 -1.0 2.0
   43    48    53    54   0.01550  1.0 1.0
   43    48    53    54   0.69950 -1.0 2.0
   43    48    53    54   0.02600  1.0 3.0
   43    48    53    55   0.01550  1.0 1.0
   43    48    53    55   0.69950 -1.0 2.0
   43    48    53    55   0.02600  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    77   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    53   0.00000  1.0 1.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    53   0.09700  1.0 1.0
   47    43    48    53   0.15600 -1.0 2.0
   47    43    48    53  -0.50800  1.0 3.0
   47    50    58    59   3.62500 -1.0 2.0
   47    50    58    74   3.62500 -1.0 2.0
   47    77    78    79   3.62500 -1.0 2.0
   50    47    77    76   3.62500 -1.0 2.0
   50    47    77    78   3.62500 -1.0 2.0
   50    58    74    75   3.62500 -1.0 2.0
   50    58   -74    76   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    74   3.62500 -1.0 2.0
   58    74    76    77   3.62500 -1.0 2.0
   58    74    76    80   3.62500 -1.0 2.0
   59    58    74    75   3.62500 -1.0 2.0
   59    58    74    76   3.62500 -1.0 2.0
   74    76   -77    47   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    80    79   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    80   3.62500 -1.0 2.0
   76    77   -78    79   3.62500 -1.0 2.0
   77    47    50    51   3.62500 -1.0 2.0
   77    47   -50    58   3.62500 -1.0 2.0
   77    76   -80    79   3.62500 -1.0 2.0
   77    78   -79    80   3.62500 -1.0 2.0
   78    79   -80    76   3.62500 -1.0 2.0
   80    76    77    47   3.62500 -1.0 2.0
   80    76   -77    78   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    77   0.18050 -1.0 2.0
   48    52   -60    33  -0.54700  1.0 1.0
   48    52   -60    33   1.23000 -1.0 2.0
   48    52    60    61   1.00000 -1.0 2.0
   48    52    62    63   0.00000  1.0 1.0
   48    52    62    64   0.00000  1.0 1.0
   48    52    62    65   0.00000  1.0 1.0
   52    48    53    54   0.65450 -1.0 2.0
   52    48    53    55   0.65450 -1.0 2.0
   60    33    37    38   0.22950  1.0 3.0
   60    33   -37    43   1.26750  1.0 1.0
   60    33   -37    43  -0.00950 -1.0 2.0
   60    33   -37    43   0.30600  1.0 3.0
   60    33    37    45  -2.10200  1.0 1.0
   60    33    37    45  -0.31600 -1.0 2.0
   60    33    37    45   0.13050  1.0 3.0
   60    33    39    40   0.22950  1.0 3.0
   60    33    39    41   0.22950  1.0 3.0
   60    33    39    42   0.22950  1.0 3.0
   60    52    62    63  -0.18050  1.0 3.0
   60    52    62    64  -0.18050  1.0 3.0
   60    52    62    65  -0.18050  1.0 3.0
   62    52    60    33   1.00000 -1.0 2.0
   62    52    60    61   2.40850 -1.0 2.0
   53    48    52    60   7.00000 -1.0 2.0
   53    48    52    62   7.00000 -1.0 2.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    56    57   0.08050  1.0 3.0
   45    49    56    66  -0.25900  1.0 1.0
   45    49    56    66  -0.47000 -1.0 2.0
   45    49    56    66   0.11750  1.0 3.0
   45    49    56    70  -0.25900  1.0 1.0
   45    49    56    70  -0.47000 -1.0 2.0
   45    49    56    70   0.11750  1.0 3.0
   46    45    49    56   3.00000 -1.0 2.0
   49    56    66    67   0.23400  1.0 3.0
   49    56    66    68   0.23400  1.0 3.0
   49    56    66    69   0.23400  1.0 3.0
   49    56    70    71   0.23400  1.0 3.0
   49    56    70    72   0.23400  1.0 3.0
   49    56    70    73   0.23400  1.0 3.0
   57    56    66    67   0.15000  1.0 3.0
   57    56    66    68   0.15000  1.0 3.0
   57    56    66    69   0.15000  1.0 3.0
   57    56    70    71   0.15000  1.0 3.0
   57    56    70    72   0.15000  1.0 3.0
   57    56    70    73   0.15000  1.0 3.0
   66    56    70    71   0.15000  1.0 3.0
   66    56    70    72   0.15000  1.0 3.0
   66    56    70    73   0.15000  1.0 3.0
   70    56    66    67   0.15000  1.0 3.0
   70    56    66    68   0.15000  1.0 3.0
   70    56    66    69   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    60    52   0.25450  1.0 1.0
   39    33    60    52  -0.61700 -1.0 2.0
   39    33    60    52  -0.23550  1.0 3.0
   39    33    60    61   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
   36    30    34    35  10.50000 -1.0 2.0
   50    77    47    43   4.00000 -1.0 2.0
   58    51    50    47   1.10000 -1.0 2.0
   74    59    58    50   1.10000 -1.0 2.0
   76    75    74    58   1.10000 -1.0 2.0
   77    80    76    74   4.00000 -1.0 2.0
   76    78    77    47   4.00000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   62    60    52    48   1.10000 -1.0 2.0
   61    52    60    33   1.00000 -1.0 2.0
   55    48    53    54  10.50000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
