* LIGAND DATABASE FILE (OPLS2005)
*
001      90    89    151    219     435
    1     0 S   NP   _N1_     1    28.40091    95.97785   -24.34397
    2     1 S   H    _HN1     2     1.02949    72.42211     8.23089
    3     1 S   H    _H1_     3     1.02827    37.26718   165.95556
    4     1 S   H    _H2_     4     1.02786   106.69130   -96.24881
    5     1 S   CT   _CA1     5     1.50116   137.04138   109.55275
    6     5 S   HC   _HA1     6     1.09573   105.19330    91.90379
    7     5 S   CO3  _C1_     7     1.53785   112.44189   -28.33815
    8     7 S   O2Z  _O11     8     1.26374   115.00538   -42.96010
    9     7 S   O2Z  _O12     9     1.26237   114.94261   136.13510
   10     5 S   CT   _CB1    10     1.53072   107.41287  -150.11604
   11    10 S   HC   HB11    11     1.09835   109.37275   -49.61646
   12    10 S   HC   HB12    12     1.09813   110.45142    66.98755
   13    10 S   CT   _CG1    13     1.52996   112.61326  -170.58003
   14    13 S   HC   HG11    14     1.09580   110.65396   -65.76892
   15    13 S   HC   HG12    15     1.09669   109.77346    53.47299
   16    13 S   C    _CD1    16     1.51802   112.16478   173.93518
   17    16 S   O    _OE1    17     1.22739   123.26199     7.91428
   18    16 S   N    _N2_    18     1.38647   111.71561  -172.19058
   19    18 S   H    _HN2    19     1.01581   118.95503     1.60791
   20    18 S   CT1  _CA2    20     1.46200   123.38418   177.51297
   21    20 S   HC   _HA2    21     1.09735   109.34313     4.09739
   22    20 S   C    _C2_    22     1.53579   108.69345  -111.43953
   23    22 S   O    _O2_    23     1.23067   122.27441  -147.88923
   24    20 S   CT   _CB2    32     1.53313   111.59915   126.07734
   25    24 S   HC   HB21    33     1.09589   110.04171    56.75834
   26    24 S   HC   HB22    34     1.09453   109.95232   175.81502
   27    22 S   N    _N3_    24     1.38329   113.74162    39.55921
   28    27 S   H    _HN3    25     1.01575   119.59984    -3.28700
   29    24 S   S    _SG2    35     1.82809   111.54035   -64.17642
   30    27 S   CT   _CA3    26     1.45284   123.21873   177.15160
   31    30 S   HC   HA31    27     1.09550   107.50966   -64.61574
   32    30 S   HC   HA32    28     1.09558   107.98597    51.82293
   33    29 S   CT   _C27    36     1.84321    99.64150   173.30294
   34    33 S   HC   _H3_    37     1.09698   106.33394   -45.60109
   35    30 S   CO3  _C3_    29     1.52967   114.08005   173.82311
   36    35 S   O2Z  _O31    30     1.26376   116.07508    -0.61326
   37    35 S   O2Z  _O32    31     1.26428   114.41096   179.44786
   38    33 S   CM   _C21    38     1.53033   110.26047    73.58843
   39    33 S   CT   _C26    85     1.53659   110.07191  -161.98154
   40    39 S   HC   _H54    86     1.09720   110.16583  -168.39042
   41    39 S   HC   _H55    87     1.09671   111.61288   -49.23515
   42    38 S   CM   _C15    39     1.35086   118.59055  -110.96323
   43    42 S   HC   _H39    40     1.08846   117.21755     1.38649
   44    38 S   CT   _C25    81     1.51079   116.76582    70.41967
   45    44 S   HC   _H51    82     1.09421   110.94958   -54.33673
   46    44 S   HC   _H52    83     1.09161   113.72625  -174.10296
   47    44 S   HC   _H53    84     1.09462   110.34015    65.72798
   48    39 S   CO4  _C17    88     1.51385   114.08578    72.78425
   49    48 S   O    _O26    89     1.22613   125.01603     8.91086
   50    48 S   HC   _H41    90     1.10387   114.72400  -173.22981
   51    42 S   CM   _C7_    41     1.44920   127.79779  -179.50742
   52    51 S   HC   _H31    42     1.08582   117.40055    -3.85813
   53    51 S   CM   _C10    43     1.34448   126.55883   177.80091
   54    53 S   HC   _H34    44     1.08959   117.54320   176.69453
   55    53 S   CM   _C19    45     1.45953   128.17974    -1.61241
   56    55 S   CM   _C13    46     1.34885   120.51662   -61.07801
   57    56 S   HC   _H37    47     1.08793   117.37065     0.39614
   58    55 S   CT   _C23    77     1.50500   113.00639   120.67067
   59    58 S   HC   _H45    78     1.09575   110.40103    63.45473
   60    58 S   HC   _H46    79     1.09623   110.28401   -56.09354
   61    58 S   HC   _H47    80     1.09198   113.67391  -175.82838
   62    56 S   CM   _C5_    48     1.44907   127.02381  -178.72866
   63    62 S   HC   _H29    49     1.08674   116.77058     4.71289
   64    62 S   CM   _C4_    50     1.34415   127.42985  -176.02753
   65    64 S   HC   _H28    51     1.08842   116.06249  -179.41785
   66    64 S   CM   _C12    52     1.45112   127.69575     1.70261
   67    66 S   HC   _H36    53     1.08697   116.15679     5.52404
   68    66 S   CM   _C18    54     1.34859   126.59526  -176.25885
   69    68 S   CM   _C9_    55     1.45476   125.26971     1.85709
   70    69 S   HC   _H33    56     1.08911   114.44090  -113.27470
   71    68 S   CT   _C22    73     1.50563   121.01854  -176.79289
   72    71 S   HC   _H42    74     1.09567   110.52798  -120.47657
   73    71 S   HC   _H43    75     1.09560   110.65339   119.30964
   74    71 S   HC   _H44    76     1.09546   112.17592    -0.63489
   75    69 S   CM   _C6_    57     1.34407   127.66586    69.22365
   76    75 S   HC   _H30    58     1.08613   116.29511   179.21019
   77    75 S   CM   _C14    59     1.44952   126.33168     0.95039
   78    77 S   HC   _H38    60     1.08926   115.19655     3.12261
   79    77 S   CM   _C20    61     1.34834   127.08104  -177.37953
   80    79 S   CM   _C11    62     1.45806   120.44009   179.82754
   81    80 S   HC   _H35    63     1.08948   114.35458  -119.47368
   82    79 S   CT   _C24    69     1.50503   126.34345     2.78418
   83    82 S   HC   _H48    70     1.09584   110.19209  -118.91193
   84    82 S   HC   _H49    71     1.09203   113.66467     1.48332
   85    82 S   HC   _H50    72     1.09606   110.52013   121.52784
   86    80 S   CM   _C8_    64     1.34051   128.21462    61.85959
   87    86 S   HC   _H32    65     1.08588   119.69967  -179.72732
   88    86 S   CO4  _C16    66     1.47825   124.56618     1.99851
   89    88 S   O    _O25    67     1.22570   121.58862  -177.35085
   90    88 S   HC   _H40    68     1.10050   116.92679     3.26441
  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   9   5   4   3
  15   7   2   1   1  13   7   4   3  10   4   4   2   1   1   2
   1   1   6   3   9   3   9  10   4   4   2   1   1   6   3   6
   3   9   3   9  10   4   4   2   1   1   6   3   9   3   9  10
   4   4   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    44    39    40    41    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    51    44    45    46    47    39    40    41    48    49    50  
   38    42    44    39    40    41    48  
   36    37  
   37  
    0  
   42    43    51    52    53    44    45    46    47    39    40    41    48  
   40    41    48    49    50    42    44  
   41    48    49    50  
   48    49    50  
   43    51    52    53    54    55    44    45    46    47  
   51    52    53    44  
   45    46    47    51  
   46    47  
   47  
    0  
   49    50  
   50  
    0  
   52    53    54    55    56    58  
   53    54    55  
   54    55    56    57    62    58    59    60    61  
   55    56    58  
   56    57    62    63    64    58    59    60    61  
   57    62    63    64    65    66    58    59    60    61  
   62    63    64    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68  
   64    65    66  
   65    66    67    68    69    71  
   66    67    68  
   67    68    69    70    75    71    72    73    74  
   68    69    71  
   69    70    75    76    77    71    72    73    74  
   70    75    76    77    78    79    71    72    73    74  
   75    76    77    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76    77    78    79    80    82  
   77    78    79  
   78    79    80    81    86    82    83    84    85  
   79    80    82  
   80    81    86    87    88    82    83    84    85  
   81    86    87    88    89    90    82    83    84    85  
   86    87    88    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   90   2.4200   0.0150   0.000000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    39   268.000  1.529
   38    42   549.000  1.340
   38    44   317.000  1.510
   42    43   340.000  1.080
   42    51   380.000  1.444
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   340.000  1.080
   53    55   380.000  1.444
   55    56   549.000  1.340
   55    58   317.000  1.510
   56    57   340.000  1.080
   56    62   380.000  1.444
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   380.000  1.444
   66    67   340.000  1.080
   66    68   549.000  1.340
   68    69   380.000  1.444
   68    71   317.000  1.510
   69    70   340.000  1.080
   69    75   549.000  1.340
   75    76   340.000  1.080
   75    77   380.000  1.444
   77    78   340.000  1.080
   77    79   549.000  1.340
   79    80   380.000  1.444
   79    82   317.000  1.510
   80    81   340.000  1.080
   80    86   549.000  1.340
   86    87   340.000  1.080
   86    88   320.000  1.462
   88    89   570.000  1.229
   88    90   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    48   317.000  1.522
   48    49   570.000  1.229
   48    50   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    48    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    51    70.00000  123.01800
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   42    51    52    35.00000  120.00000
   42    51    53    70.00000  123.01800
   51    42    43    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    55    70.00000  123.01800
   53    51    52    35.00000  120.00000
   53    55    56    70.00000  123.01800
   53    55    58    70.00000  124.00000
   55    53    54    35.00000  120.00000
   55    56    57    35.00000  120.00000
   55    56    62    70.00000  123.01800
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   56    62    63    35.00000  120.00000
   56    62    64    70.00000  123.01800
   62    56    57    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    70.00000  123.01800
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    70.00000  123.01800
   66    64    65    35.00000  120.00000
   66    68    69    70.00000  123.01800
   66    68    71    70.00000  124.00000
   68    66    67    35.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    75    70.00000  123.01800
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   69    75    76    35.00000  120.00000
   69    75    77    70.00000  123.01800
   75    69    70    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    70.00000  123.01800
   77    75    76    35.00000  120.00000
   77    79    80    70.00000  123.01800
   77    79    82    70.00000  124.00000
   79    77    78    35.00000  120.00000
   79    80    81    35.00000  120.00000
   79    80    86    70.00000  123.01800
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   80    86    87    35.00000  120.00000
   80    86    88    65.00000  118.96000
   86    80    81    35.00000  120.00000
   86    88    89    80.00000  123.72100
   86    88    90    40.00000  115.75000
   88    86    87    40.00000  117.72500
   90    88    89    35.00000  123.00000
   82    79    80    70.00000  124.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   71    68    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    55    56    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    48    49    80.00000  120.40000
   39    48    50    35.00000  115.00000
   41    39    40    33.00000  107.80000
   48    39    40    35.00000  109.50000
   48    39    41    35.00000  109.50000
   50    48    49    35.00000  123.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  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    48   0.56750  1.0 1.0
   29    33    39    48  -0.07550 -1.0 2.0
   29    33    39    48   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    51   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    47   0.34800  1.0 3.0
   33    39    48    49   0.30150 -1.0 2.0
   33    39    48    50   0.74550  1.0 1.0
   33    39    48    50  -0.00500 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    48  -0.11250  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    48  -0.98800  1.0 1.0
   38    33    39    48   0.48800 -1.0 2.0
   38    33    39    48   0.76800  1.0 3.0
   38    42    51    52  -0.18600  1.0 3.0
   38    42    51    53   0.28850  1.0 1.0
   38    42    51    53   2.61350 -1.0 2.0
   38    42    51    53   0.78400  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    47   0.00000  1.0 1.0
   42    51    53    54   7.00000 -1.0 2.0
   42    51    53    55   7.00000 -1.0 2.0
   43    42    51    52   0.00000  1.0 1.0
   43    42    51    53  -0.18600  1.0 3.0
   51    53    55    56   0.28850  1.0 1.0
   51    53    55    56   2.61350 -1.0 2.0
   51    53    55    56   0.78400  1.0 3.0
   51    53    55    58  -0.18600  1.0 3.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    55   7.00000 -1.0 2.0
   53    55    56    57   7.00000 -1.0 2.0
   53    55    56    62   7.00000 -1.0 2.0
   53    55    58    59   0.00000  1.0 1.0
   53    55    58    60   0.00000  1.0 1.0
   53    55    58    61   0.00000  1.0 1.0
   54    53    55    56  -0.18600  1.0 3.0
   54    53    55    58   0.00000  1.0 1.0
   55    56    62    63  -0.18600  1.0 3.0
   55    56    62    64   0.28850  1.0 1.0
   55    56    62    64   2.61350 -1.0 2.0
   55    56    62    64   0.78400  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   56    55    58    61   0.00000  1.0 1.0
   56    62    64    65   7.00000 -1.0 2.0
   56    62    64    66   7.00000 -1.0 2.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64  -0.18600  1.0 3.0
   62    64    66    67  -0.18600  1.0 3.0
   62    64    66    68   0.28850  1.0 1.0
   62    64    66    68   2.61350 -1.0 2.0
   62    64    66    68   0.78400  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   64    66    68    69   7.00000 -1.0 2.0
   64    66    68    71   7.00000 -1.0 2.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68  -0.18600  1.0 3.0
   66    68    69    70  -0.18600  1.0 3.0
   66    68    69    75   0.28850  1.0 1.0
   66    68    69    75   2.61350 -1.0 2.0
   66    68    69    75   0.78400  1.0 3.0
   66    68    71    72   0.00000  1.0 1.0
   66    68    71    73   0.00000  1.0 1.0
   66    68    71    74   0.00000  1.0 1.0
   67    66    68    69   7.00000 -1.0 2.0
   67    66    68    71   7.00000 -1.0 2.0
   68    69    75    76   7.00000 -1.0 2.0
   68    69    75    77   7.00000 -1.0 2.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    74   0.00000  1.0 1.0
   69    75    77    78  -0.18600  1.0 3.0
   69    75    77    79   0.28850  1.0 1.0
   69    75    77    79   2.61350 -1.0 2.0
   69    75    77    79   0.78400  1.0 3.0
   70    69    75    76   7.00000 -1.0 2.0
   70    69    75    77   7.00000 -1.0 2.0
   75    77    79    80   7.00000 -1.0 2.0
   75    77    79    82   7.00000 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79  -0.18600  1.0 3.0
   77    79    80    81  -0.18600  1.0 3.0
   77    79    80    86   0.28850  1.0 1.0
   77    79    80    86   2.61350 -1.0 2.0
   77    79    80    86   0.78400  1.0 3.0
   77    79    82    83   0.00000  1.0 1.0
   77    79    82    84   0.00000  1.0 1.0
   77    79    82    85   0.00000  1.0 1.0
   78    77    79    80   7.00000 -1.0 2.0
   78    77    79    82   7.00000 -1.0 2.0
   79    80    86    87   7.00000 -1.0 2.0
   79    80    86    88   7.00000 -1.0 2.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   80    79    82    85   0.00000  1.0 1.0
   80    86    88    89   1.00000 -1.0 2.0
   80    86    88    90  -0.79650  1.0 1.0
   80    86    88    90   1.60950 -1.0 2.0
   80    86    88    90  -0.26250  1.0 3.0
   81    80    86    87   7.00000 -1.0 2.0
   81    80    86    88   7.00000 -1.0 2.0
   87    86    88    89   0.00000  1.0 1.0
   87    86    88    90   0.93100 -1.0 2.0
   82    79    80    81   0.00000  1.0 1.0
   82    79    80    86  -0.18600  1.0 3.0
   71    68    69    70   0.00000  1.0 1.0
   71    68    69    75  -0.18600  1.0 3.0
   58    55    56    57   7.00000 -1.0 2.0
   58    55    56    62   7.00000 -1.0 2.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    51   7.00000 -1.0 2.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    39    48    50   0.00000  1.0 1.0
   41    39    48    49   0.00000  1.0 1.0
   41    39    48    50   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
   37    30    35    36  10.50000 -1.0 2.0
   33    44    38    42  15.00000 -1.0 2.0
   51    43    42    38  15.00000 -1.0 2.0
   42    52    51    53  15.00000 -1.0 2.0
   55    54    53    51  15.00000 -1.0 2.0
   53    58    55    56  15.00000 -1.0 2.0
   62    57    56    55  15.00000 -1.0 2.0
   56    63    62    64  15.00000 -1.0 2.0
   66    65    64    62  15.00000 -1.0 2.0
   64    67    66    68  15.00000 -1.0 2.0
   69    71    68    66  15.00000 -1.0 2.0
   68    70    69    75  15.00000 -1.0 2.0
   77    76    75    69  15.00000 -1.0 2.0
   75    78    77    79  15.00000 -1.0 2.0
   80    82    79    77  15.00000 -1.0 2.0
   79    81    80    86  15.00000 -1.0 2.0
   88    87    86    80  15.00000 -1.0 2.0
   86    90    88    89  10.50000 -1.0 2.0
   39    50    48    49  10.50000 -1.0 2.0
END
