* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    154    242     458
    1     0 S   NP   _N1_     1    29.43647    91.48673   -22.37922
    2     1 S   H    _HN1     2     1.02772   104.53277   -70.63868
    3     1 S   H    _H1_     3     1.02968    97.98138    40.73698
    4     1 S   H    _H2_     4     1.02829    11.88604  -178.95657
    5     1 S   CT   _CA1     5     1.50152   121.98069   160.79153
    6     5 S   HC   _HA1     6     1.09580   105.19593    63.52725
    7     5 S   CO3  _C1_     7     1.53780   112.44669   -56.50329
    8     7 S   O2Z  _O11     8     1.26349   115.01476   -41.46206
    9     7 S   O2Z  _O12     9     1.26253   114.91834   137.61892
   10     5 S   CT   _CB1    10     1.53076   107.35222  -178.69104
   11    10 S   HC   HB11    11     1.09820   109.15126   -51.55276
   12    10 S   HC   HB12    12     1.09822   110.42789    64.88591
   13    10 S   CT   _CG1    13     1.53019   112.81806  -172.80303
   14    13 S   HC   HG11    14     1.09594   110.27752   -65.02592
   15    13 S   HC   HG12    15     1.09638   110.15786    54.23715
   16    13 S   C    _CD1    16     1.51778   112.21851   174.33095
   17    16 S   O    _OE1    17     1.22758   123.19509    -8.75161
   18    16 S   N    _N2_    18     1.38701   111.79459   171.90796
   19    18 S   H    _HN2    19     1.01588   119.16142     0.66027
   20    18 S   CT1  _CA2    20     1.46062   123.09507  -178.91178
   21    20 S   HC   _HA2    21     1.09564   109.07953   -12.57037
   22    20 S   C    _C2_    22     1.53420   108.91373  -127.62441
   23    22 S   O    _O2_    23     1.23031   122.08828  -148.57711
   24    20 S   CT   _CB2    32     1.53539   111.98370   109.72360
   25    24 S   HC   HB21    33     1.09660   109.47473    65.16098
   26    24 S   HC   HB22    34     1.09578   110.77325  -177.67881
   27    22 S   N    _N3_    24     1.38470   113.46945    39.05914
   28    27 S   H    _HN3    25     1.01521   118.90845    -0.81060
   29    24 S   S    _SG2    35     1.82861   115.02750   -54.47622
   30    27 S   CT   _CA3    26     1.45441   123.42549   174.58242
   31    30 S   HC   HA31    27     1.09526   109.16616    25.57799
   32    30 S   HC   HA32    28     1.09490   107.13753   142.62171
   33    29 S   CT   _C20    36     1.82657   100.07735   -67.79041
   34    33 S   HC   _H3_    37     1.09354   106.55713   -67.32766
   35    33 S   HC   _H4_    38     1.09218   109.47674    49.84280
   36    30 S   CO3  _C3_    29     1.52951   113.19345   -97.81042
   37    36 S   O2Z  _O31    30     1.26399   115.47957   -41.73217
   38    36 S   O2Z  _O32    31     1.26364   114.92535   139.18398
   39    33 S   CT   _C12    39     1.53267   111.34046   171.85876
   40    39 S   HC   _H31    40     1.09639   111.49547    50.79807
   41    39 S   CO4  _C6_    41     1.51464   111.24328   -71.95156
   42    41 S   O    _O18    42     1.22130   125.99859    78.24207
   43    41 S   OS   _O20    43     1.36778   110.07269  -101.20527
   44    43 S   CT   _C10    44     1.43735   109.82396     2.04832
   45    44 S   HC   _H29    45     1.09712   106.91176    94.73031
   46    44 S   CM   _C4_    46     1.49512   109.04868  -147.27789
   47    46 S   HC   _H24    47     1.08923   115.16714   -10.08448
   48    39 S   CT   _C13    56     1.53635   115.21279   175.14155
   49    48 S   HC   _H32    57     1.10132   106.59918  -160.39354
   50    46 S   CM   _C5_    48     1.34779   126.43539   172.40162
   51    50 S   CT   _C11    49     1.52450   123.08031     0.72253
   52    51 S   HC   _H30    50     1.10131   106.14454    66.24005
   53    50 S   CT   _C17    77     1.50899   117.99542   175.58146
   54    53 S   HC   _H35    78     1.09324   110.88238   113.01645
   55    53 S   HC   _H36    79     1.09599   112.27425    -6.32592
   56    53 S   HC   _H37    80     1.09436   110.79311  -125.35916
   57    51 S   CT   _C14    51     1.55271   116.91222   -54.75356
   58    57 S   HC   _H33    52     1.10077   108.03452   -48.07905
   59    57 S   CT   _C8_    53     1.53571   115.07252    71.17872
   60    59 S   HC   _H25    54     1.09693   108.55191   173.80457
   61    59 S   HC   _H26    55     1.09628   109.58281    56.72228
   62    57 S   CT   _C16    58     1.56512   104.42273  -163.03374
   63    62 S   CT   _C9_    59     1.54242   105.90498    11.32938
   64    63 S   HC   _H27    60     1.09697   110.59343   -99.51394
   65    63 S   HC   _H28    61     1.09476   111.95247   139.17285
   66    62 S   CT   _C19    71     1.52900   116.95779  -111.86995
   67    66 S   HC   _H41    72     1.09504   111.45675   -65.37070
   68    66 S   HC   _H42    73     1.09664   110.45534   177.29513
   69    66 S   HC   _H43    74     1.09444   111.93773    57.08833
   70    62 S   OH   _O21    75     1.43236   107.22030   127.58686
   71    70 S   HO   _H46    76     0.97255   108.08587  -175.81783
   72    51 S   CT   _C15    62     1.54758   116.54498  -175.12987
   73    72 S   HC   _H34    63     1.09600   111.88589   -65.72280
   74    72 S   OS   _O22    64     1.44153   110.65003    58.45388
   75    74 S   CO4  _C7_    65     1.36257   116.92814  -164.01699
   76    75 S   O    _O19    66     1.22312   126.37145     0.16786
   77    75 S   CT   _C18    67     1.49815   109.46796  -179.79347
   78    77 S   HC   _H38    68     1.09291   109.81965   -60.98835
   79    77 S   HC   _H39    69     1.09376   109.36857   179.95154
   80    77 S   HC   _H40    70     1.09292   109.80904    60.90223
  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
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4   9
   4  14  20   9   5   2   1   1  17   8   7   2   1  12  12   6
   5   6   3   2   1   2   1   5   2   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    59    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    57    59    60    61    48    49  
   41    42    43    44    59    48    49  
   42    43    44    45    46    59    48    49  
   43    44    48  
   44    45    46    47    50    59    48    49  
   45    46    47    50    51    57    59    60    61    48    49    53  
   46    47    50    59    48    49  
   47    50    51    52    57    59    48    49    72    53    54    55    56  
   50    51    48    53  
   49    62    50    51    57    58    59    60    61  
   57    59    60    61  
   51    52    57    58    59    62    63    72    73    74    53    54    55    56  
   52    57    58    59    60    61    62    63    64    65    72    73    74    75    66    70    53    54    55    56  
   57    58    59    62    63    72    73    74    53  
   54    55    56    57    72  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    72    73    74    66    67    68    69    70    71  
   59    60    61    62    63    72    66    70  
   60    61    62    63    72    66    70  
   61    62  
   62  
   63    64    65    72    73    74    66    67    68    69    70    71  
   64    65    72    73    74    75    66    67    68    69    70    71  
   65    72    73    74    66    70  
   72    73    74    66    70  
   67    68    69    70    71    72  
   68    69    70  
   69    70  
   70  
   71    72  
    0  
   73    74    75    76    77  
   74    75  
   75    76    77    78    79    80  
   76    77    78    79    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   0.047500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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
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   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    72   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    48   268.000  1.529
   48    49   340.000  1.090
   62    63   268.000  1.529
   62    66   268.000  1.529
   62    70   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    72   268.000  1.529
   72    73   340.000  1.090
   72    74   320.000  1.410
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    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    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    59    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    59    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    53    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    51    72    70.00000  112.02700
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    58.35000  112.70000
   51    57    62    58.35000  112.70000
   51    72    63    58.35000  112.70000
   51    72    73    37.50000  110.70000
   51    72    74    50.00000  109.50000
   57    51    52    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    48    58.35000  112.70000
   57    62    63    58.35000  112.70000
   57    62    66    58.35000  112.70000
   57    62    70    50.00000  109.50000
   59    57    58    37.50000  110.70000
   59    48    49    37.50000  110.70000
   61    59    60    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    59    60    37.50000  110.70000
   48    59    61    37.50000  110.70000
   62    57    58    37.50000  110.70000
   62    57    59    58.35000  112.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    72    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   62    70    71    55.00000  108.50000
   63    72    73    37.50000  110.70000
   63    72    74    50.00000  109.50000
   65    63    64    33.00000  107.80000
   72    51    52    37.50000  110.70000
   72    51    57    58.35000  112.70000
   72    63    64    37.50000  110.70000
   72    63    65    37.50000  110.70000
   72    74    75    83.00000  116.90000
   74    72    73    35.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    81.00000  111.40000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    35.00000  109.50000
   77    75    76    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
   66    62    63    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    62    63    50.00000  109.50000
   70    62    66    50.00000  109.50000
   53    50    51    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    59   0.56750  1.0 1.0
   33    39    48    59  -0.07550 -1.0 2.0
   33    39    48    59   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    59   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    59  -0.95700  1.0 1.0
   41    39    48    59  -0.18200 -1.0 2.0
   41    39    48    59   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    59   0.62750  1.0 1.0
   43    44    48    59  -0.30950 -1.0 2.0
   43    44    48    59   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    53   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    59   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    59   0.34400  1.0 1.0
   46    44    48    59   0.09450 -1.0 2.0
   46    44    48    59   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    51    72   0.09850  1.0 1.0
   46    50    51    72   0.15250 -1.0 2.0
   46    50    51    72  -0.50650  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.34400  1.0 1.0
   50    51    57    59   0.09450 -1.0 2.0
   50    51    57    59   0.11100  1.0 3.0
   50    51    57    62   0.34400  1.0 1.0
   50    51    57    62   0.09450 -1.0 2.0
   50    51    57    62   0.11100  1.0 3.0
   50    51    72    63   0.34400  1.0 1.0
   50    51    72    63   0.09450 -1.0 2.0
   50    51    72    63   0.11100  1.0 3.0
   50    51    72    73   0.15000  1.0 3.0
   50    51    72    74   0.61850  1.0 1.0
   50    51    72    74  -0.22750 -1.0 2.0
   50    51    72    74   0.15300  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    59    60   0.15000  1.0 3.0
   51    57    59    61   0.15000  1.0 3.0
   51    57    59    48   0.56750  1.0 1.0
   51    57    59    48  -0.07550 -1.0 2.0
   51    57    59    48   0.20000  1.0 3.0
   51    57   -62    63   0.56750  1.0 1.0
   51    57   -62    63  -0.07550 -1.0 2.0
   51    57   -62    63   0.20000  1.0 3.0
   51    57    62    66   0.56750  1.0 1.0
   51    57    62    66  -0.07550 -1.0 2.0
   51    57    62    66   0.20000  1.0 3.0
   51    57    62    70   0.86500  1.0 1.0
   51    57    62    70  -0.17500 -1.0 2.0
   51    57    62    70   0.20800  1.0 3.0
   51    72    74    75  -0.25900  1.0 1.0
   51    72    74    75  -0.47000 -1.0 2.0
   51    72    74    75   0.11750  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    62   0.15000  1.0 3.0
   52    51    72    63   0.15000  1.0 3.0
   52    51    72    73   0.15000  1.0 3.0
   52    51    72    74   0.23400  1.0 3.0
   57    51   -72    63   0.56750  1.0 1.0
   57    51   -72    63  -0.07550 -1.0 2.0
   57    51   -72    63   0.20000  1.0 3.0
   57    51    72    73   0.15000  1.0 3.0
   57    51    72    74   0.62750  1.0 1.0
   57    51    72    74  -0.30950 -1.0 2.0
   57    51    72    74   0.27300  1.0 3.0
   57    59    48    39   0.56750  1.0 1.0
   57    59    48    39  -0.07550 -1.0 2.0
   57    59    48    39   0.20000  1.0 3.0
   57    59    48    44   0.56750  1.0 1.0
   57    59    48    44  -0.07550 -1.0 2.0
   57    59    48    44   0.20000  1.0 3.0
   57    59    48    49   0.15000  1.0 3.0
   57    62    63    64   0.15000  1.0 3.0
   57    62    63    65   0.15000  1.0 3.0
   57    62   -63    72   0.56750  1.0 1.0
   57    62   -63    72  -0.07550 -1.0 2.0
   57    62   -63    72   0.20000  1.0 3.0
   57    62    66    67   0.15000  1.0 3.0
   57    62    66    68   0.15000  1.0 3.0
   57    62    66    69   0.15000  1.0 3.0
   57    62    70    71  -0.11600  1.0 1.0
   57    62    70    71  -0.09450 -1.0 2.0
   57    62    70    71   0.21250  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    48   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    66   0.15000  1.0 3.0
   58    57    62    70   0.23400  1.0 3.0
   59    57    62    63   0.56750  1.0 1.0
   59    57    62    63  -0.07550 -1.0 2.0
   59    57    62    63   0.20000  1.0 3.0
   59    57    62    66   0.56750  1.0 1.0
   59    57    62    66  -0.07550 -1.0 2.0
   59    57    62    66   0.20000  1.0 3.0
   59    57    62    70   0.86500  1.0 1.0
   59    57    62    70  -0.17500 -1.0 2.0
   59    57    62    70   0.20800  1.0 3.0
   60    59    48    39   0.15000  1.0 3.0
   60    59    48    44   0.15000  1.0 3.0
   60    59    48    49   0.15000  1.0 3.0
   61    59    48    39   0.15000  1.0 3.0
   61    59    48    44   0.15000  1.0 3.0
   61    59    48    49   0.15000  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   62    57    59    60   0.15000  1.0 3.0
   62    57    59    61   0.15000  1.0 3.0
   62    57    59    48   0.56750  1.0 1.0
   62    57    59    48  -0.07550 -1.0 2.0
   62    57    59    48   0.20000  1.0 3.0
   62    63   -72    51   0.56750  1.0 1.0
   62    63   -72    51  -0.07550 -1.0 2.0
   62    63   -72    51   0.20000  1.0 3.0
   62    63    72    73   0.15000  1.0 3.0
   62    63    72    74   0.62750  1.0 1.0
   62    63    72    74  -0.30950 -1.0 2.0
   62    63    72    74   0.27300  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   63    62    70    71  -0.11600  1.0 1.0
   63    62    70    71  -0.09450 -1.0 2.0
   63    62    70    71   0.21250  1.0 3.0
   63    72    74    75  -0.25900  1.0 1.0
   63    72    74    75  -0.47000 -1.0 2.0
   63    72    74    75   0.11750  1.0 3.0
   64    63    72    51   0.15000  1.0 3.0
   64    63    72    73   0.15000  1.0 3.0
   64    63    72    74   0.23400  1.0 3.0
   65    63    72    51   0.15000  1.0 3.0
   65    63    72    73   0.15000  1.0 3.0
   65    63    72    74   0.23400  1.0 3.0
   72    51    57    58   0.15000  1.0 3.0
   72    51    57    59   0.56750  1.0 1.0
   72    51    57    59  -0.07550 -1.0 2.0
   72    51    57    59   0.20000  1.0 3.0
   72    51   -57    62   0.56750  1.0 1.0
   72    51   -57    62  -0.07550 -1.0 2.0
   72    51   -57    62   0.20000  1.0 3.0
   72    74    75    76   3.00000 -1.0 2.0
   72    74    75    77   1.63150  1.0 1.0
   72    74    75    77   2.92000 -1.0 2.0
   73    72    74    75   0.08050  1.0 3.0
   74    75    77    78   0.00000  1.0 1.0
   74    75    77    79   0.00000  1.0 1.0
   74    75    77    80   0.00000  1.0 1.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    80   0.00000  1.0 1.0
   66    62    63    64   0.15000  1.0 3.0
   66    62    63    65   0.15000  1.0 3.0
   66    62    63    72   0.56750  1.0 1.0
   66    62    63    72  -0.07550 -1.0 2.0
   66    62    63    72   0.20000  1.0 3.0
   66    62    70    71  -0.11600  1.0 1.0
   66    62    70    71  -0.09450 -1.0 2.0
   66    62    70    71   0.21250  1.0 3.0
   70    62    63    64   0.23400  1.0 3.0
   70    62    63    65   0.23400  1.0 3.0
   70    62    63    72   0.86500  1.0 1.0
   70    62    63    72  -0.17500 -1.0 2.0
   70    62    63    72   0.20800  1.0 3.0
   70    62    66    67   0.23400  1.0 3.0
   70    62    66    68   0.23400  1.0 3.0
   70    62    66    69   0.23400  1.0 3.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   53    50    51    72   0.46850  1.0 1.0
   53    50    51    72   0.08550 -1.0 2.0
   53    50    51    72   0.09800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    53    50    46   1.10000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
END
