* LIGAND DATABASE FILE (OPLS2005)
*
001      87    87    151    222     438
    1     0 S   NP   _N1_     1    29.29647    98.81716   -22.68931
    2     1 S   H    _HN1     2     1.02789   111.61382  -116.29747
    3     1 S   H    _H1_     3     1.02947    58.67066   -17.33973
    4     1 S   H    _H2_     4     1.02826    49.66985   148.13549
    5     1 S   CT   _CA1     5     1.50096   135.96046    70.24877
    6     5 S   HC   _HA1     6     1.09576   105.19064   112.05472
    7     5 S   CO3  _C1_     7     1.53830   112.48425    -8.15591
    8     7 S   O2Z  _O11     8     1.26374   114.99970   -42.39094
    9     7 S   O2Z  _O12     9     1.26247   114.97785   136.71315
   10     5 S   CT   _CB1    10     1.53085   107.41525  -129.96551
   11    10 S   HC   HB11    11     1.09827   109.45513   -49.64917
   12    10 S   HC   HB12    12     1.09807   110.47505    67.05760
   13    10 S   CT   _CG1    13     1.52874   112.41981  -170.58495
   14    13 S   HC   HG11    14     1.09549   110.56850   -65.29615
   15    13 S   HC   HG12    15     1.09675   109.77790    53.81095
   16    13 S   C    _CD1    16     1.51757   112.44009   174.39968
   17    16 S   O    _OE1    17     1.22705   123.54211     6.77474
   18    16 S   N    _N2_    18     1.38502   111.37618  -173.25070
   19    18 S   H    _HN2    19     1.01767   118.93150    -1.10038
   20    18 S   CT1  _CA2    20     1.46096   123.39745   179.10431
   21    20 S   HC   _HA2    21     1.09754   108.29684    30.77017
   22    20 S   C    _C2_    22     1.53451   111.11972   -85.63153
   23    22 S   O    _O2_    23     1.23149   120.91212   169.78720
   24    20 S   CT   _CB2    32     1.53383   111.07376   152.86639
   25    24 S   HC   HB21    33     1.09289   109.51101    56.33082
   26    24 S   HC   HB22    34     1.09494   110.41246   175.01929
   27    22 S   N    _N3_    24     1.37976   114.88251   -13.42644
   28    27 S   H    _HN3    25     1.01526   119.19644     0.92111
   29    24 S   S    _SG2    35     1.82975   110.49710   -65.45708
   30    27 S   CT   _CA3    26     1.45301   123.69949  -179.70859
   31    30 S   HC   HA31    27     1.09539   108.74523   -35.30027
   32    30 S   HC   HA32    28     1.09511   107.09648    81.44287
   33    29 S   CT   _C21    36     1.86545   102.06930   156.23138
   34    33 S   OM   _O40    37     1.32036   106.77191   175.76169
   35    30 S   CO3  _C3_    29     1.53045   113.90030  -157.66617
   36    35 S   O2Z  _O31    30     1.26403   116.12262    -1.80873
   37    35 S   O2Z  _O32    31     1.26450   114.45070   177.89179
   38    33 S   CT   _C20    38     1.55378   107.79675    59.43536
   39    38 S   HC   _H17    39     1.09762   110.52174   -64.99681
   40    38 S   HC   _H18    40     1.10087   109.81541    52.80357
   41    33 S   CT   _C22    78     1.55221   112.17552   -64.28295
   42    41 S   HC   _H19    79     1.09892   112.25632  -164.53290
   43    41 S   HC   _H20    80     1.09771   109.18370    80.53115
   44    38 S   CO4  _C19    41     1.53444   117.92326   174.51985
   45    44 S   O    _O38    42     1.23004   123.02313    25.46148
   46    41 S   CO4  _C23    81     1.52372   117.25177   -39.31734
   47    46 S   O    _O39    82     1.22740   122.45536    95.55230
   48    44 S   CT   _C18    43     1.52089   115.12637  -155.73039
   49    48 S   HC   _H15    44     1.09687   107.32661    79.44488
   50    48 S   HC   _H16    45     1.09497   109.36138   -35.21125
   51    46 S   S    _S1_    83     1.76474   115.45642   -86.46609
   52    48 S   CA   _C13    46     1.51361   113.68359  -158.19667
   53    51 S   CT   _C24    84     1.80656   100.07440   166.38188
   54    53 S   HC   _H21    85     1.09316   109.31288  -178.58805
   55    53 S   HC   _H22    86     1.09330   110.58999    62.02268
   56    53 S   HC   _H23    87     1.09324   110.39047   -59.28059
   57    52 S   CA   _C14    47     1.40653   118.09370   -99.55465
   58    57 S   HA   _H11    48     1.08777   120.09613    -0.49416
   59    57 S   CA   _C15    49     1.39240   120.59966   179.37130
   60    59 S   CA   _C16    50     1.38971   120.90194    -0.32021
   61    60 S   HA   _H12    51     1.08573   120.39390  -179.82983
   62    59 S   OH   _O37    76     1.36693   118.06528   179.80617
   63    62 S   HO   _H14    77     0.97223   108.61337   179.88809
   64    60 S   CA   _C17    52     1.39599   119.11418    -0.12820
   65    52 S   CA   _C12    53     1.41917   122.63687    79.16994
   66    64 S   OH   _O36    74     1.37254   119.08280  -179.33236
   67    66 S   HO   _H13    75     0.97136   109.00960    -2.11914
   68    65 S   CMA  _C11    54     1.50555   121.42002     0.25488
   69    68 S   OM   _O41    55     1.26514   119.45118    86.97395
   70    68 S   CM   _C10    56     1.35430   109.77346   -92.46168
   71    70 S   HC   _H10    57     1.08859   121.00414     0.57811
   72    70 S   CO4  _C9_    58     1.49932   124.94025   178.32322
   73    72 S   O    _O35    59     1.22784   122.64352    21.04752
   74    72 S   CT   _C8_    60     1.51423   115.51589  -161.41942
   75    74 S   HC   _H8_    61     1.09539   107.02818   -97.54498
   76    74 S   HC   _H9_    62     1.09521   109.84555    20.22481
   77    74 S   CO4  _C7_    63     1.51523   115.60806   141.24495
   78    77 S   O    _O34    64     1.22968   122.54742   -11.04589
   79    77 S   CT   _C6_    65     1.51370   115.67726   173.22384
   80    79 S   HC   _H6_    66     1.09488   109.57139   -37.81893
   81    79 S   HC   _H7_    67     1.09421   107.26790    79.58964
   82    79 S   CO4  _C5_    68     1.51030   114.95997  -158.30458
   83    82 S   O    _O33    69     1.23039   121.89831    43.24119
   84    82 S   CT   _C4_    70     1.50536   116.76942  -138.53497
   85    84 S   HC   _H3_    71     1.09215   109.53697    67.94874
   86    84 S   HC   _H4_    72     1.09303   109.74225  -172.25169
   87    84 S   HC   _H5_    73     1.09288   109.62690   -53.12616
  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  10   5   4   3
  13   8   2   1   1  12   5   4   7   4   3   7   4   6   2   9
   4   3   4  11   3   2   1   1   9   4   7   8   4   2   1   6
   7   2   1   6   3   7   3   7   4   8   4   3   7   4   8   4
   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    48    41    42    43    46    47    51  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    48    49    50    52    41    42    43    46  
   40    44    45    48    41  
   44    45    48    41  
   42    43    46    47    51    53    44  
   43    46    47    51  
   46    47    51  
   45    48    49    50    52    57    65  
   48    49    50    52  
   47    51    53    54    55    56  
   51    53  
   49    50    52    57    58    59    64    65    68  
   50    52    57    65  
   52    57    65  
   53    54    55    56  
   57    58    59    60    64    65    68    69    70    66    62  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    64    65    68    62    63  
   59    60    65    62  
   60    61    64    65    66    62    63  
   61    64    65    68    66    67    62    63  
   64    65    66    62  
   63    64  
    0  
   65    68    69    70    66    67  
   68    69    70    71    72    66    67  
   67    68  
    0  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74    75    76    77    78    79  
   74    75    76    77  
   75    76    77    78    79    80    81    82  
   76    77    78    79  
   77    78    79  
   78    79    80    81    82    83    84  
   79    80    81    82  
   80    81    82    83    84    85    86    87  
   81    82    83    84  
   82    83    84  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.012500   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   570.000  1.307
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.522
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.510
   52    57   469.000  1.400
   52    65   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   469.000  1.400
   59    62   450.000  1.364
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    65   469.000  1.400
   64    66   450.000  1.364
   65    68   320.000  1.460
   68    69   745.000  1.250
   68    70   465.000  1.376
   70    71   340.000  1.080
   70    72   320.000  1.462
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   317.000  1.522
   77    78   570.000  1.229
   77    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   317.000  1.522
   82    83   570.000  1.229
   82    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   66    67   553.000  0.945
   62    63   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.522
   46    47   570.000  1.229
   46    51   210.000  1.799
   51    53   222.000  1.810
   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    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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    44    45    80.00000  120.40000
   38    44    48    70.00000  116.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    52    70.00000  110.93000
   48    44    45    80.00000  120.40000
   48    52    57    70.00000  120.00000
   48    52    65    70.00000  120.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    57    58    35.00000  120.00000
   52    57    59    63.00000  120.00000
   52    65    64    63.00000  120.00000
   52    65    68    60.00000  120.93500
   57    59    60    63.00000  120.00000
   57    59    62    70.00000  120.00000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    64    63.00000  120.00000
   59    62    63    35.00000  113.00000
   60    64    65    63.00000  120.00000
   60    64    66    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    65    68    60.00000  120.93500
   64    66    67    35.00000  113.00000
   65    52    57    63.00000  120.00000
   65    68    69    85.00000  114.86500
   65    68    70    60.00000  123.20500
   68    70    71    40.00000  120.50800
   68    70    72    60.00000  125.92000
   70    68    69    65.00000  137.10300
   70    72    73    80.00000  123.72100
   70    72    74    65.00000  118.62400
   72    70    71    40.00000  117.72500
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    75.00000  107.99600
   74    72    73    80.00000  120.40000
   74    77    78    80.00000  120.40000
   74    77    79    70.00000  116.00000
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    82    75.00000  107.99600
   79    77    78    80.00000  120.40000
   79    82    83    80.00000  120.40000
   79    82    84    70.00000  116.00000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    35.00000  109.50000
   84    82    83    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   66    64    65    70.00000  120.00000
   62    59    60    70.00000  120.00000
   41    33    34    50.00000  109.50000
   41    33    38    58.35000  112.70000
   41    46    47    80.00000  120.40000
   41    46    51    70.00000  114.16300
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    51    53    90.00000   96.72000
   51    46    47    80.00000  121.30200
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    35.00000  109.50000
   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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    48   0.60050  1.0 1.0
   33    38    44    48   0.05600 -1.0 2.0
   33    38    44    48   0.26150  1.0 3.0
   33    41    46    47   0.30150 -1.0 2.0
   33    41    46    51   0.00000  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    44  -0.09450  1.0 1.0
   34    33    38    44  -1.12950 -1.0 2.0
   34    33    38    44   0.54000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.23400  1.0 3.0
   34    33    41    46  -0.09450  1.0 1.0
   34    33    41    46  -1.12950 -1.0 2.0
   34    33    41    46   0.54000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46  -0.95700  1.0 1.0
   38    33    41    46  -0.18200 -1.0 2.0
   38    33    41    46   0.29450  1.0 3.0
   38    44    48    49   0.00000  1.0 1.0
   38    44    48    50   0.00000  1.0 1.0
   38    44    48    52   0.65300  1.0 1.0
   38    44    48    52  -0.03850 -1.0 2.0
   38    44    48    52   0.33900  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    48   0.00000  1.0 1.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    48   0.00000  1.0 1.0
   44    48    52    57   0.04300 -1.0 2.0
   44    48    52    65   0.04300 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    48    52   0.30150 -1.0 2.0
   48    52    57    58   3.62500 -1.0 2.0
   48    52    57    59   3.62500 -1.0 2.0
   48    52    65    64   3.62500 -1.0 2.0
   48    52    65    68   3.62500 -1.0 2.0
   49    48    52    57   0.00000  1.0 1.0
   49    48    52    65   0.00000  1.0 1.0
   50    48    52    57   0.00000  1.0 1.0
   50    48    52    65   0.00000  1.0 1.0
   52    57    59    60   3.62500 -1.0 2.0
   52    57    59    62   3.62500 -1.0 2.0
   52    65    68    69  -0.01750  1.0 1.0
   52    65    68    69  -0.32000 -1.0 2.0
   52    65    68    69   0.00600  1.0 3.0
   52    65    68    70   0.15800  1.0 1.0
   52    65    68    70   1.85350 -1.0 2.0
   52    65    68    70  -0.48700  1.0 3.0
   57    52    65    64   3.62500 -1.0 2.0
   57    52    65    68   3.62500 -1.0 2.0
   57    59    60    61   3.62500 -1.0 2.0
   57    59   -60    64   3.62500 -1.0 2.0
   57    59    62    63   0.84100 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    62   3.62500 -1.0 2.0
   59    60    64    65   3.62500 -1.0 2.0
   59    60    64    66   3.62500 -1.0 2.0
   60    59    62    63   0.84100 -1.0 2.0
   60    64   -65    52   3.62500 -1.0 2.0
   60    64    65    68   3.62500 -1.0 2.0
   60    64    66    67   0.84100 -1.0 2.0
   61    60    64    65   3.62500 -1.0 2.0
   61    60    64    66   3.62500 -1.0 2.0
   64    65    68    69  -0.01750  1.0 1.0
   64    65    68    69  -0.32000 -1.0 2.0
   64    65    68    69   0.00600  1.0 3.0
   64    65    68    70   0.15800  1.0 1.0
   64    65    68    70   1.85350 -1.0 2.0
   64    65    68    70  -0.48700  1.0 3.0
   65    52    57    58   3.62500 -1.0 2.0
   65    52   -57    59   3.62500 -1.0 2.0
   65    64    66    67   0.84100 -1.0 2.0
   65    68    70    71   7.00000 -1.0 2.0
   65    68    70    72   7.00000 -1.0 2.0
   68    70    72    73   1.00000 -1.0 2.0
   68    70    72    74  -0.33500  1.0 1.0
   68    70    72    74   1.06600 -1.0 2.0
   68    70    72    74  -0.14000  1.0 3.0
   69    68    70    71   7.00000 -1.0 2.0
   69    68    70    72   7.00000 -1.0 2.0
   70    72    74    75   0.00000  1.0 1.0
   70    72    74    76   0.00000  1.0 1.0
   70    72    74    77   0.65300  1.0 1.0
   70    72    74    77  -0.03850 -1.0 2.0
   70    72    74    77   0.33900  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.04550  1.0 1.0
   71    70    72    74   0.83000 -1.0 2.0
   71    70    72    74  -0.04000  1.0 3.0
   72    74    77    78   0.30150 -1.0 2.0
   72    74    77    79   0.65300  1.0 1.0
   72    74    77    79  -0.03850 -1.0 2.0
   72    74    77    79   0.33900  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    74    77   0.30150 -1.0 2.0
   74    77    79    80   0.00000  1.0 1.0
   74    77    79    81   0.00000  1.0 1.0
   74    77    79    82   0.65300  1.0 1.0
   74    77    79    82  -0.03850 -1.0 2.0
   74    77    79    82   0.33900  1.0 3.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   76    74    77    78   0.00000  1.0 1.0
   76    74    77    79   0.00000  1.0 1.0
   77    79    82    83   0.30150 -1.0 2.0
   77    79    82    84   0.65300  1.0 1.0
   77    79    82    84  -0.03850 -1.0 2.0
   77    79    82    84   0.33900  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    82   0.30150 -1.0 2.0
   79    82    84    85   0.00000  1.0 1.0
   79    82    84    86   0.00000  1.0 1.0
   79    82    84    87   0.00000  1.0 1.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   81    79    82    84   0.00000  1.0 1.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   0.00000  1.0 1.0
   83    82    84    87   0.00000  1.0 1.0
   66    64    65    52   3.62500 -1.0 2.0
   66    64    65    68   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    64   3.62500 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44  -0.95700  1.0 1.0
   41    33    38    44  -0.18200 -1.0 2.0
   41    33    38    44   0.29450  1.0 3.0
   41    46    51    53  -0.11550  1.0 1.0
   41    46    51    53   1.88700 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    51   0.00000  1.0 1.0
   43    41    46    47   0.00000  1.0 1.0
   43    41    46    51   0.00000  1.0 1.0
   46    51    53    54   0.24000  1.0 3.0
   46    51    53    55   0.24000  1.0 3.0
   46    51    53    56   0.24000  1.0 3.0
   47    46    51    53  -0.11550  1.0 1.0
   47    46    51    53   1.88700 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   38    48    44    45  10.50000 -1.0 2.0
   57    65    52    48   4.00000 -1.0 2.0
   59    58    57    52   1.10000 -1.0 2.0
   60    62    59    57   4.00000 -1.0 2.0
   64    61    60    59   1.10000 -1.0 2.0
   65    66    64    60   4.00000 -1.0 2.0
   64    68    65    52   4.00000 -1.0 2.0
   65    69    68    70  15.00000 -1.0 2.0
   72    71    70    68  15.00000 -1.0 2.0
   70    74    72    73  10.50000 -1.0 2.0
   74    79    77    78  10.50000 -1.0 2.0
   79    84    82    83  10.50000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
END
