* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    145    207     415
    1     0 S   NP   _N1_     1    29.06607    95.59345   -26.24062
    2     1 S   H    _HN1     2     1.02786   122.83531   -87.53774
    3     1 S   H    _H1_     3     1.02950    72.62920    13.47738
    4     1 S   H    _H2_     4     1.02829    34.61138  -160.58899
    5     1 S   CT   _CA1     5     1.50112   120.76430   117.30230
    6     5 S   HC   _HA1     6     1.09573   105.19333    96.21002
    7     5 S   CO3  _C1_     7     1.53787   112.47936   -24.02486
    8     7 S   O2Z  _O11     8     1.26372   115.00498   -42.07917
    9     7 S   O2Z  _O12     9     1.26240   114.94953   137.06672
   10     5 S   CT   _CB1    10     1.53081   107.42568  -145.79489
   11    10 S   HC   HB11    11     1.09833   109.37170   -49.63343
   12    10 S   HC   HB12    12     1.09813   110.44482    66.97459
   13    10 S   CT   _CG1    13     1.52993   112.61209  -170.61106
   14    13 S   HC   HG11    14     1.09580   110.63582   -65.76618
   15    13 S   HC   HG12    15     1.09669   109.78719    53.47421
   16    13 S   C    _CD1    16     1.51786   112.21641   173.93150
   17    16 S   O    _OE1    17     1.22734   123.29830     7.18897
   18    16 S   N    _N2_    18     1.38669   111.69685  -172.94537
   19    18 S   H    _HN2    19     1.01594   118.94098     1.76236
   20    18 S   CT1  _CA2    20     1.46023   123.25720   177.39511
   21    20 S   HC   _HA2    21     1.09550   109.23203     1.79668
   22    20 S   C    _C2_    22     1.53547   108.83517  -113.25884
   23    22 S   O    _O2_    23     1.23087   122.26273  -147.71809
   24    20 S   CT   _CB2    32     1.53135   111.68395   124.48195
   25    24 S   HC   HB21    33     1.09672   109.61934    59.85893
   26    24 S   HC   HB22    34     1.09391   111.07131   176.84309
   27    22 S   N    _N3_    24     1.38269   113.69391    39.82717
   28    27 S   H    _HN3    25     1.01599   119.62511    -3.56524
   29    24 S   S    _SG2    35     1.82750   115.08067   -60.19877
   30    27 S   CT   _CA3    26     1.45279   123.18013   176.96920
   31    30 S   HC   HA31    27     1.09551   107.52096   -64.09793
   32    30 S   HC   HA32    28     1.09557   107.96865    52.33159
   33    29 S   S    _S1_    36     2.05967   103.98737   -62.03849
   34    30 S   CO3  _C3_    29     1.52947   114.07610   174.31256
   35    34 S   O2Z  _O31    30     1.26371   116.05213    -0.90244
   36    34 S   O2Z  _O32    31     1.26421   114.40151   179.15605
   37    33 S   CM   _C12    37     1.77044   100.50133   -78.96848
   38    37 S   CM   _C11    38     1.36474   120.22381   108.23690
   39    37 S   CT   _C13    65     1.52575   114.72061   -68.10227
   40    39 S   HC   _H13    66     1.09662   110.29102    52.97681
   41    39 S   HC   _H14    67     1.09449   111.97909   166.27599
   42    38 S   CT   _C19    39     1.52015   123.33067     0.37378
   43    42 S   HC   _H24    40     1.09297   113.57418    26.78483
   44    42 S   HC   _H25    41     1.09642   110.48107   144.25785
   45    42 S   HC   _H26    42     1.09331   110.93665   -95.32038
   46    38 S   N    _N7_    43     1.40870   123.04863  -179.58222
   47    39 S   CT   _C14    68     1.53097   113.52365   -69.55012
   48    47 S   HC   _H15    69     1.09632   112.24417    67.94578
   49    47 S   HC   _H16    70     1.09462   111.03093   -51.60332
   50    46 S   C    _C10    44     1.39599   121.86601   -50.66703
   51    50 S   O    _O33    45     1.22673   126.86422   175.45033
   52    50 S   HC   _H12    46     1.10031   112.66852    -4.94467
   53    46 S   CT   _C9_    47     1.47514   119.94573   133.41116
   54    53 S   HC   _H10    48     1.09611   110.44384   171.39330
   55    53 S   HC   _H11    49     1.09575   109.11042    56.18730
   56    47 S   OS   _O34    71     1.44040   109.73372  -169.17142
   57    53 S   CM   _C7_    50     1.50398   110.73449   -67.25589
   58    56 S   CO4  _C15    72     1.36598   116.87776   -84.60173
   59    58 S   O    _O35    73     1.22356   125.71753     0.40638
   60    57 S   CM   _C6_    51     1.34203   122.45092   112.59934
   61    60 S   HC   _H7_    52     1.08362   123.36954    -0.26907
   62    58 S   CT   _C16    74     1.51822   109.42626  -179.35411
   63    62 S   HC   _H17    75     1.09715   107.89764   -41.12169
   64    60 S   NE   _N4_    53     1.36260   122.60962  -178.19517
   65    64 S   H    _H6_    54     1.01494   117.86663   177.07149
   66    62 S   CT   _C17    76     1.52392   109.71769    78.45191
   67    66 S   HC   _H18    77     1.09574   111.24145    60.18869
   68    66 S   HC   _H19    78     1.09536   111.01412   -59.33051
   69    66 S   HC   _H20    79     1.09489   110.92311  -179.29919
   70    62 S   CT   _C18    80     1.52637   110.75200  -158.64288
   71    70 S   HC   _H21    81     1.09571   111.48681   -63.13912
   72    70 S   HC   _H22    82     1.09499   110.79728   176.49809
   73    70 S   HC   _H23    83     1.09551   110.79513    56.62356
   74    64 S   CDX  _C5_    55     1.37191   119.75696     0.81397
   75    74 S   NI   _N5_    56     1.30344   123.52017    -2.45344
   76    74 S   CT   _C4_    61     1.50485   117.76414   176.70265
   77    76 S   HC   _H3_    62     1.09369   109.16590   -67.04205
   78    76 S   HC   _H4_    63     1.09361   109.60833    52.33386
   79    76 S   HC   _H5_    64     1.09337   110.72420   172.77721
   80    57 S   CG   _C8_    57     1.50545   122.41394   -69.33907
   81    80 S   NIP  _N6_    58     1.28271   122.64205    -5.40762
   82    81 S   H    _H8_    59     1.02006   122.98760    -0.11703
   83    81 S   H    _H9_    60     1.01981   120.08431  -179.89913
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   4   5   4   3
   8   2   1   1  15  16   9   5   4   6   3   2   1   9   6   3
   2   6   2   1   9   4   3   6  10  11   4   8   4   9   8   8
   3   7   3   2   1   3   2   1   1   7   8   4   2   1   1   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    46    39    40    41    47  
   35    36  
   36  
    0  
   38    42    43    44    45    46    50    53    39    40    41    47    48    49    56  
   42    43    44    45    46    50    51    52    53    54    55    57    39    40    41    47  
   40    41    47    48    49    56    58    42    46  
   41    47    48    49    56  
   47    48    49    56  
   43    44    45    46    50    53  
   44    45    46  
   45    46  
   46  
   50    51    52    53    54    55    57    60    80  
   48    49    56    58    59    62  
   49    56    58  
   56    58  
   51    52    53    54    55    57  
   52    53  
   53  
   54    55    57    60    61    64    75    80    81  
   55    57    60    80  
   57    60    80  
   58    59    62    63    66    70  
   60    61    64    65    74    75    80    81    82    83  
   59    62    63    66    67    68    69    70    71    72    73  
   62    63    66    70  
   61    64    65    74    75    80    81    76  
   64    65    74    80  
   63    66    67    68    69    70    71    72    73  
   66    67    68    69    70    71    72    73  
   65    74    75    80    76    77    78    79  
   74    75    76  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
   75    80    81    76    77    78    79  
   80    81    82    83    76    77    78    79  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.007500   2.0300   1.8000   0.025682759  -1.666211680
   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.073200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700   0.003200   1.8100   1.6000   0.054801302  -1.445846770
   47   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.2500   0.1700  -0.507500   1.8650   1.6500   0.051222218  -2.220205820
   65   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.7500   0.1050   0.334000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.659000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.2500   0.1700  -0.496500   2.2900   2.0360   0.003973653   1.685851020
   82   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
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   166.000  2.038
   33    37   240.000  1.763
   37    38   549.000  1.340
   37    39   317.000  1.510
   38    42   317.000  1.510
   38    46   400.000  1.384
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    50   490.000  1.335
   46    53   337.000  1.449
   50    51   570.000  1.229
   50    52   350.000  1.101
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   549.000  1.340
   57    80   400.000  1.403
   60    61   340.000  1.080
   60    64   425.000  1.378
   64    65   434.000  1.010
   64    74   445.000  1.380
   74    75   650.000  1.285
   74    76   260.000  1.508
   75    80   440.000  1.338
   80    81   635.000  1.286
   81    82   490.000  1.015
   81    83   490.000  1.015
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   320.000  1.410
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    62   317.000  1.522
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    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
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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    90.00000  106.02000
   33    37    38    65.00000  122.11800
   33    37    39    65.00000  117.37300
   37    38    42    70.00000  124.00000
   37    38    46    75.00000  120.83300
   37    39    40    35.00000  109.50000
   37    39    41    35.00000  109.50000
   37    39    47    70.00000  112.02700
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    45    35.00000  109.50000
   38    46    50    70.00000  120.89900
   38    46    53    70.00000  119.94800
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    38    42    70.00000  113.82800
   46    50    51    80.00000  122.90000
   46    50    52    50.00000  110.38700
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    57    75.00000  110.78400
   52    50    51    50.00000  124.15400
   53    46    50    50.00000  121.90000
   53    57    60    70.00000  124.00000
   53    57    80    65.00000  117.22000
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    64    70.00000  124.03900
   57    80    75    75.00000  109.42000
   57    80    81    65.00000  126.03000
   60    64    65    35.00000  114.50000
   60    64    74    75.00000  119.57500
   64    60    61    50.00000  112.30800
   64    74    75    75.00000  124.36500
   64    74    76    75.00000  111.50700
   74    64    65    35.00000  119.50000
   74    75    80    70.00000  113.10000
   74    76    77    45.00000  109.58200
   74    76    78    45.00000  109.58200
   74    76    79    45.00000  109.58200
   75    80    81    85.00000  118.94000
   80    57    60    65.00000  121.68800
   80    81    82    45.00000  118.89500
   80    81    83    45.00000  118.89500
   83    81    82    30.00000  117.83200
   76    74    75    70.00000  118.34500
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   39    37    38    70.00000  124.00000
   39    47    48    37.50000  110.70000
   39    47    49    37.50000  110.70000
   39    47    56    50.00000  109.50000
   41    39    40    33.00000  107.80000
   47    39    40    37.50000  110.70000
   47    39    41    37.50000  110.70000
   47    56    58    83.00000  116.90000
   49    47    48    33.00000  107.80000
   56    47    48    35.00000  109.50000
   56    47    49    35.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    62    81.00000  111.40000
   58    62    63    35.00000  109.50000
   58    62    66    63.00000  111.10000
   58    62    70    63.00000  111.10000
   62    58    59    80.00000  120.40000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    73    37.50000  110.70000
   66    62    63    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    62    63    37.50000  110.70000
   70    62    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
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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   1.00000 -1.0 2.0
   29    33    37    39   1.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    38    46   7.00000 -1.0 2.0
   33    37    39    40   0.00000  1.0 1.0
   33    37    39    41   0.00000  1.0 1.0
   33    37    39    47   0.09700  1.0 1.0
   33    37    39    47   0.15600 -1.0 2.0
   33    37    39    47  -0.50800  1.0 3.0
   37    38    42    43   0.00000  1.0 1.0
   37    38    42    44   0.00000  1.0 1.0
   37    38    42    45   0.00000  1.0 1.0
   37    38    46    50  -0.18900  1.0 1.0
   37    38    46    50   1.70900 -1.0 2.0
   37    38    46    53  -0.88150  1.0 1.0
   37    38    46    53   2.95600 -1.0 2.0
   37    39    47    48   0.15000  1.0 3.0
   37    39    47    49   0.15000  1.0 3.0
   37    39    47    56   0.61850  1.0 1.0
   37    39    47    56  -0.22750 -1.0 2.0
   37    39    47    56   0.15300  1.0 3.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    41   0.00000  1.0 1.0
   38    37    39    47   0.09850  1.0 1.0
   38    37    39    47   0.15250 -1.0 2.0
   38    37    39    47  -0.50650  1.0 3.0
   38    46    50    51   2.67200 -1.0 2.0
   38    46    50    52   2.45000 -1.0 2.0
   38    46    53    54   0.00000  1.0 1.0
   38    46    53    55   0.00000  1.0 1.0
   38    46    53    57   0.17850 -1.0 2.0
   42    38    46    50  -0.45200  1.0 1.0
   42    38    46    50   0.85900 -1.0 2.0
   42    38    46    50   0.16650  1.0 3.0
   42    38    46    53   1.00000 -1.0 2.0
   46    38    42    43  -0.18050  1.0 3.0
   46    38    42    44  -0.18050  1.0 3.0
   46    38    42    45  -0.18050  1.0 3.0
   46    53    57    60   0.62150  1.0 1.0
   46    53    57    60   0.42850 -1.0 2.0
   46    53    57    60  -0.68200  1.0 3.0
   46    53    57    80   0.62150  1.0 1.0
   46    53    57    80   0.42850 -1.0 2.0
   46    53    57    80  -0.68200  1.0 3.0
   50    46    53    54   0.00000  1.0 1.0
   50    46    53    55   0.00000  1.0 1.0
   50    46    53    57  -0.19250  1.0 1.0
   50    46    53    57  -0.00500 -1.0 2.0
   50    46    53    57   0.17000  1.0 3.0
   53    46    50    51   3.04450 -1.0 2.0
   53    46    50    52   0.64600  1.0 1.0
   53    46    50    52   0.00100 -1.0 2.0
   53    46    50    52   0.30400  1.0 3.0
   53    57    60    61   7.00000 -1.0 2.0
   53    57    60    64   7.00000 -1.0 2.0
   53    57    80    75   7.00000 -1.0 2.0
   53    57    80    81   7.00000 -1.0 2.0
   54    53    57    60   0.00000  1.0 1.0
   54    53    57    80   0.00000  1.0 1.0
   55    53    57    60   0.00000  1.0 1.0
   55    53    57    80   0.00000  1.0 1.0
   57    60    64    65   1.00000 -1.0 2.0
   57    60    64    74  -0.54500  1.0 1.0
   57    60    64    74   1.14150 -1.0 2.0
   57    80    81    82   2.00000 -1.0 2.0
   57    80    81    83   2.00000 -1.0 2.0
   60    57    80    75   1.09650  1.0 1.0
   60    57    80    75   0.48950 -1.0 2.0
   60    57    80    75   0.49400  1.0 3.0
   60    57    80    81   1.09700  1.0 1.0
   60    57    80    81   0.56350 -1.0 2.0
   60    57    80    81   0.49350  1.0 3.0
   60    64   -74    75   1.00000 -1.0 2.0
   60    64    74    76   1.00000 -1.0 2.0
   61    60    64    65   1.00000 -1.0 2.0
   61    60    64    74   0.00000  1.0 1.0
   64    74    75    80   6.00000 -1.0 2.0
   64    74    76    77   0.00000  1.0 1.0
   64    74    76    78   0.00000  1.0 1.0
   64    74    76    79   0.00000  1.0 1.0
   65    64    74    75   1.50000 -1.0 2.0
   65    64    74    76   2.40850 -1.0 2.0
   74    75   -80    57   6.00000 -1.0 2.0
   74    75    80    81   6.00000 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    79   0.00000  1.0 1.0
   75    80    81    82   2.00000 -1.0 2.0
   75    80    81    83   2.00000 -1.0 2.0
   80    57    60    61   7.00000 -1.0 2.0
   80    57   -60    64   7.00000 -1.0 2.0
   76    74    75    80   6.00000 -1.0 2.0
   39    37    38    42   7.00000 -1.0 2.0
   39    37    38    46   7.00000 -1.0 2.0
   39    47    56    58  -0.25900  1.0 1.0
   39    47    56    58  -0.47000 -1.0 2.0
   39    47    56    58   0.11750  1.0 3.0
   40    39    47    48   0.15000  1.0 3.0
   40    39    47    49   0.15000  1.0 3.0
   40    39    47    56   0.23400  1.0 3.0
   41    39    47    48   0.15000  1.0 3.0
   41    39    47    49   0.15000  1.0 3.0
   41    39    47    56   0.23400  1.0 3.0
   47    56    58    59   3.00000 -1.0 2.0
   47    56    58    62   1.63150  1.0 1.0
   47    56    58    62   2.92000 -1.0 2.0
   48    47    56    58   0.08050  1.0 3.0
   49    47    56    58   0.08050  1.0 3.0
   56    58    62    63   0.00000  1.0 1.0
   56    58    62    66   0.36750  1.0 3.0
   56    58    62    70   0.36750  1.0 3.0
   58    62    66    67  -0.11250  1.0 3.0
   58    62    66    68  -0.11250  1.0 3.0
   58    62    66    69  -0.11250  1.0 3.0
   58    62    70    71  -0.11250  1.0 3.0
   58    62    70    72  -0.11250  1.0 3.0
   58    62    70    73  -0.11250  1.0 3.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    66   0.30150 -1.0 2.0
   59    58    62    70   0.30150 -1.0 2.0
   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   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    73   0.15000  1.0 3.0
   66    62    70    71   0.15000  1.0 3.0
   66    62    70    72   0.15000  1.0 3.0
   66    62    70    73   0.15000  1.0 3.0
   70    62    66    67   0.15000  1.0 3.0
   70    62    66    68   0.15000  1.0 3.0
   70    62    66    69   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    39    37    38  15.00000 -1.0 2.0
   42    46    38    37  15.00000 -1.0 2.0
   53    50    46    38   1.00000 -1.0 2.0
   46    52    50    51  10.50000 -1.0 2.0
   53    80    57    60   1.10000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   65    74    64    60   1.00000 -1.0 2.0
   64    76    74    75  10.50000 -1.0 2.0
   75    57    80    81  10.50000 -1.0 2.0
   82    83    81    80   1.00000 -1.0 2.0
   56    62    58    59  10.50000 -1.0 2.0
END
