* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    161    224     464
    1     0 S   NP   _N1_     1    29.73887    96.16918   -28.13606
    2     1 S   H    _HN1     2     1.02948    73.45252     5.00570
    3     1 S   H    _H1_     3     1.02827    36.95306  -149.74979
    4     1 S   H    _H2_     4     1.02789   134.02802   -94.80395
    5     1 S   CT   _CA1     5     1.50119   109.44112   111.32605
    6     5 S   HC   _HA1     6     1.09572   105.17341    98.66471
    7     5 S   CO3  _C1_     7     1.53782   112.48978   -21.55847
    8     7 S   O2Z  _O11     8     1.26376   115.00260   -41.77033
    9     7 S   O2Z  _O12     9     1.26239   114.95227   137.31567
   10     5 S   CT   _CB1    10     1.53068   107.42323  -143.32880
   11    10 S   HC   HB11    11     1.09836   109.36969   -49.29105
   12    10 S   HC   HB12    12     1.09811   110.45840    67.32875
   13    10 S   CT   _CG1    13     1.53001   112.60020  -170.22903
   14    13 S   HC   HG11    14     1.09573   110.69473   -66.59029
   15    13 S   HC   HG12    15     1.09673   109.71189    52.63770
   16    13 S   C    _CD1    16     1.51819   112.12775   173.13616
   17    16 S   O    _OE1    17     1.22726   123.18900    10.45805
   18    16 S   N    _N2_    18     1.38665   111.68678  -169.62398
   19    18 S   H    _HN2    19     1.01564   118.93683     1.78378
   20    18 S   CT1  _CA2    20     1.46203   123.42744   176.86762
   21    20 S   HC   _HA2    21     1.09751   109.08671     8.63065
   22    20 S   C    _C2_    22     1.53756   110.31096  -106.65493
   23    22 S   O    _O2_    23     1.23174   121.87941  -158.63353
   24    20 S   CT   _CB2    32     1.53328   111.12198   130.57819
   25    24 S   HC   HB21    33     1.09588   110.65468    48.70347
   26    24 S   HC   HB22    34     1.09015   110.16244   167.27902
   27    22 S   N    _N3_    24     1.38187   114.26547    28.47930
   28    27 S   H    _HN3    25     1.01538   119.56637    -3.29010
   29    24 S   S    _SG2    35     1.82610   111.11549   -71.78963
   30    27 S   CT   _CA3    26     1.45273   123.30743   176.99267
   31    30 S   HC   HA31    27     1.09550   107.58108   -62.78625
   32    30 S   HC   HA32    28     1.09555   107.91447    53.65257
   33    29 S   CT   _C13    36     1.85319    99.94357  -164.70485
   34    33 S   HC   _H8_    37     1.09744   106.38802   -29.97191
   35    30 S   CO3  _C3_    29     1.52973   114.04668   175.60698
   36    35 S   O2Z  _O31    30     1.26385   116.08244    -0.18767
   37    35 S   O2Z  _O32    31     1.26427   114.41873   179.87180
   38    33 S   CT   _C14    38     1.54245   107.43005  -146.34332
   39    38 S   HC   _H9_    39     1.09717   111.56754   -47.65639
   40    38 S   CT   _C9_    40     1.53410   112.28770  -171.09336
   41    40 S   HC   _H4_    41     1.09770   109.22234   -68.99227
   42    38 S   OH   _O39    89     1.43455   108.16608    69.50664
   43    42 S   HO   _H17    90     0.97536   107.94001   165.89093
   44    40 S   CT   _C10    42     1.52796   112.28775    52.72226
   45    44 S   HC   _H5_    43     1.09580   109.92946  -178.13954
   46    40 S   OS   _O38    62     1.42864   108.43078   172.32931
   47    44 S   CT   _C11    44     1.52893   110.02567   -56.71523
   48    47 S   HC   _H6_    45     1.09716   109.05254   -63.74034
   49    44 S   OH   _O48    60     1.43198   110.52130    66.15658
   50    49 S   HO   _H20    61     0.96999   109.27246   -67.54725
   51    46 S   P2   _P1_    63     1.63220   118.94237   113.89841
   52    51 S   O2Z  _O37    64     1.51217   109.14879    62.27852
   53    51 S   O2Z  _O36    65     1.51265   107.99900   -71.28767
   54    33 S   CT   _C12    46     1.54573   110.42585    89.26617
   55    54 S   HC   _H7_    47     1.09696   111.19362    46.81818
   56    47 S   OS   _O44    54     1.42422   108.49603   177.37438
   57    51 S   OS   _O35    66     1.63293    98.94139   176.25519
   58    54 S   OS   _O40    48     1.43325   108.80878   -73.00368
   59    56 S   P2   _P3_    55     1.62940   119.79448   111.24202
   60    59 S   O2Z  _O47    56     1.51150   110.50688    44.69984
   61    59 S   O2Z  _O45    57     1.51173   108.51316   -90.45248
   62    57 S   CT   _C8_    67     1.42400   118.75600   -67.05447
   63    62 S   HC   _H15    68     1.09426   107.65634   -79.29449
   64    62 S   HC   _H16    69     1.09485   109.76712    38.56108
   65    58 S   P2   _P2_    49     1.63245   120.18657   127.82823
   66    65 S   O2Z  _O43    50     1.51168   110.18213    78.23242
   67    65 S   O2Z  _O41    51     1.51163   109.67621   -57.15373
   68    59 S   OS   _O46    58     1.63130    97.46078   157.09150
   69    68 S   HO   _H19    59     0.98426   114.25679   -65.83722
   70    62 S   CT   _C7_    70     1.53193   109.86832   159.75267
   71    70 S   HC   _H3_    71     1.09759   108.74041  -172.65687
   72    65 S   OS   _O42    52     1.63140    98.22802  -168.98894
   73    72 S   HO   _H18    53     0.98037   116.57133    79.90443
   74    70 S   CT   _C6_    72     1.53056   112.87999   -52.04813
   75    74 S   HC   _H13    73     1.09726   109.31800  -177.68683
   76    74 S   HC   _H14    74     1.09720   110.78614    64.05710
   77    70 S   OS   _O49    82     1.44492   109.79641    67.11255
   78    74 S   OS   _O34    75     1.43371   109.74258   -57.55743
   79    77 S   CO4  _C15    83     1.36237   117.30860    82.95537
   80    79 S   O    _O50    84     1.22318   126.42916     0.66411
   81    78 S   CO4  _C5_    76     1.36223   115.36988   179.44751
   82    81 S   O    _O33    77     1.22374   126.21529     1.26563
   83    79 S   CT   _C16    85     1.49842   109.50361  -179.33736
   84    83 S   HC   _H21    86     1.09289   109.84073   -60.95865
   85    83 S   HC   _H22    87     1.09380   109.36298   180.00000
   86    83 S   HC   _H23    88     1.09292   109.82314    60.95970
   87    81 S   CT   _C4_    78     1.49813   109.87732  -177.13508
   88    87 S   HC   _H10    79     1.09345   110.28566   -41.41839
   89    87 S   HC   _H11    80     1.09368   109.27481  -159.76242
   90    87 S   HC   _H12    81     1.09180   109.54241    80.32467
  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
  16   8   2   1   1  14   7  16   7   4   1  12   7   7  12   6
   3   1   7   3   2   8   3   6   7   5   4   3   2  10   5   4
   4   3   2   1   1  10   6   1   1   8   4   3   7   6   5   4
   5   4   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    54    55    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    54    55    58    65    56    46    42    43  
   38    39    40    47    54    55    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    54    55    58    49    46    51    42    43  
   40    41    44    54    46    42    43  
   41    44    45    47    48    54    56    49    50    46    51    52    53    57    42    43  
   44    45    47    49    46    51    42  
   43    44    46    54  
    0  
   45    47    48    54    55    58    56    59    49    50    46    51  
   47    48    54    56    49    50    46  
   51    52    53    57    62    47    49  
   48    54    55    58    65    56    59    60    61    68    49    50  
   54    55    58    56    59    49  
   50    54    56  
    0  
   52    53    57    62    63    64    70  
   53    57    62  
   57    62  
   55    58    65    66    67    72    56    59  
   58    65    56  
   59    60    61    68    69    58  
   62    63    64    70    71    74    77  
   65    66    67    72    73  
   60    61    68    69  
   61    68    69  
   68    69  
   63    64    70    71    74    75    76    78    77    79  
   64    70    71    74    77  
   70    71    74    77  
   66    67    72    73  
   67    72    73  
   72    73  
   69  
    0  
   71    74    75    76    78    81    77    79    80    83  
   74    75    76    78    77    79  
   73  
    0  
   75    76    78    81    82    87    77    79  
   76    78    81    77  
   78    81    77  
   79    80    83    84    85    86    78  
   81    82    87    88    89    90  
   80    83    84    85    86  
   83    84    85    86  
   82    87    88    89    90  
   87    88    89    90  
   84    85    86  
   85    86  
   86  
    0  
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   57   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   58   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   66   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   67   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   68   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    54   268.000  1.529
   47    56   320.000  1.410
   54    55   340.000  1.090
   54    58   320.000  1.410
   58    65   230.000  1.697
   65    66   525.000  1.480
   65    67   525.000  1.480
   65    72   230.000  1.697
   72    73   553.000  0.945
   56    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    68   230.000  1.697
   68    69   553.000  0.945
   49    50   553.000  0.945
   46    51   230.000  1.697
   51    52   525.000  1.480
   51    53   525.000  1.480
   51    57   230.000  1.697
   57    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   320.000  1.410
   78    81   214.000  1.327
   81    82   570.000  1.229
   81    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   77    79   214.000  1.327
   79    80   570.000  1.229
   79    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   42    43   553.000  0.945
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  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    54    47    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    51   100.00000  120.50000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    54    58.35000  112.70000
   44    47    56    50.00000  109.50000
   44    49    50    55.00000  108.50000
   47    44    45    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    58    50.00000  109.50000
   47    56    59   100.00000  120.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    47    48    37.50000  110.70000
   54    58    65   100.00000  120.50000
   58    54    55    35.00000  109.50000
   58    65    66   100.00000  108.23000
   58    65    67   100.00000  108.23000
   58    65    72    45.00000  102.60000
   65    72    73    45.00000  108.50000
   67    65    66   140.00000  119.90000
   72    65    66   100.00000  108.23000
   72    65    67   100.00000  108.23000
   56    47    48    35.00000  109.50000
   56    47    54    50.00000  109.50000
   56    59    60   100.00000  108.23000
   56    59    61   100.00000  108.23000
   56    59    68    45.00000  102.60000
   59    68    69    45.00000  108.50000
   61    59    60   140.00000  119.90000
   68    59    60   100.00000  108.23000
   68    59    61   100.00000  108.23000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    51    52   100.00000  108.23000
   46    51    53   100.00000  108.23000
   46    51    57    45.00000  102.60000
   51    57    62   100.00000  120.50000
   53    51    52   140.00000  119.90000
   57    51    52   100.00000  108.23000
   57    51    53   100.00000  108.23000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    70    50.00000  109.50000
   62    70    71    37.50000  110.70000
   62    70    74    58.35000  112.70000
   62    70    77    50.00000  109.50000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    78    50.00000  109.50000
   70    77    79    83.00000  116.90000
   74    70    71    37.50000  110.70000
   74    78    81    83.00000  116.90000
   76    74    75    33.00000  107.80000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   78    81    82    83.00000  123.40000
   78    81    87    81.00000  111.40000
   81    87    88    35.00000  109.50000
   81    87    89    35.00000  109.50000
   81    87    90    35.00000  109.50000
   87    81    82    80.00000  120.40000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   77    70    71    35.00000  109.50000
   77    70    74    50.00000  109.50000
   77    79    80    83.00000  123.40000
   77    79    83    81.00000  111.40000
   79    83    84    35.00000  109.50000
   79    83    85    35.00000  109.50000
   79    83    86    35.00000  109.50000
   83    79    80    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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   0.01700  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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    47   0.44750  1.0 1.0
   29    33    54    47  -0.17800 -1.0 2.0
   29    33    54    47   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    58   0.56750  1.0 1.0
   29    33    54    58  -0.07550 -1.0 2.0
   29    33    54    58   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    54    58    65  -2.65550  1.0 1.0
   33    54    58    65  -0.22350 -1.0 2.0
   33    54    58    65   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    47   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    58   0.23400  1.0 3.0
   38    33    54    47   0.56750  1.0 1.0
   38    33    54    47  -0.07550 -1.0 2.0
   38    33    54    47   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    58   0.62750  1.0 1.0
   38    33    54    58  -0.30950 -1.0 2.0
   38    33    54    58   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.86500  1.0 1.0
   38    40    44    49  -0.17500 -1.0 2.0
   38    40    44    49   0.20800  1.0 3.0
   38    40    46    51  -2.65550  1.0 1.0
   38    40    46    51  -0.22350 -1.0 2.0
   38    40    46    51   0.24150  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    54   0.56750  1.0 1.0
   40    44    47    54  -0.07550 -1.0 2.0
   40    44    47    54   0.20000  1.0 3.0
   40    44    47    56   0.62750  1.0 1.0
   40    44    47    56  -0.30950 -1.0 2.0
   40    44    47    56   0.27300  1.0 3.0
   40    44    49    50  -0.11600  1.0 1.0
   40    44    49    50  -0.09450 -1.0 2.0
   40    44    49    50   0.21250  1.0 3.0
   40    46    51    52   0.00000  1.0 1.0
   40    46    51    53   0.00000  1.0 1.0
   40    46    51    57   0.05050  1.0 1.0
   40    46    51    57  -1.30700 -1.0 2.0
   40    46    51    57   0.91550  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    51   0.03000  1.0 3.0
   44    40    46    51  -2.65550  1.0 1.0
   44    40    46    51  -0.22350 -1.0 2.0
   44    40    46    51   0.24150  1.0 3.0
   44    47   -54    33   0.56750  1.0 1.0
   44    47   -54    33  -0.07550 -1.0 2.0
   44    47   -54    33   0.20000  1.0 3.0
   44    47    54    55   0.15000  1.0 3.0
   44    47    54    58   0.62750  1.0 1.0
   44    47    54    58  -0.30950 -1.0 2.0
   44    47    54    58   0.27300  1.0 3.0
   44    47    56    59  -2.65550  1.0 1.0
   44    47    56    59  -0.22350 -1.0 2.0
   44    47    56    59   0.24150  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    54   0.15000  1.0 3.0
   45    44    47    56   0.23400  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   47    44    49    50  -0.11600  1.0 1.0
   47    44    49    50  -0.09450 -1.0 2.0
   47    44    49    50   0.21250  1.0 3.0
   47    54    58    65  -2.65550  1.0 1.0
   47    54    58    65  -0.22350 -1.0 2.0
   47    54    58    65   0.24150  1.0 3.0
   47    56    59    60   0.00000  1.0 1.0
   47    56    59    61   0.00000  1.0 1.0
   47    56    59    68   0.05050  1.0 1.0
   47    56    59    68  -1.30700 -1.0 2.0
   47    56    59    68   0.91550  1.0 3.0
   48    47    54    33   0.15000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    58   0.23400  1.0 3.0
   48    47    56    59   0.03000  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.86500  1.0 1.0
   54    33    38    42  -0.17500 -1.0 2.0
   54    33    38    42   0.20800  1.0 3.0
   54    47    56    59  -2.65550  1.0 1.0
   54    47    56    59  -0.22350 -1.0 2.0
   54    47    56    59   0.24150  1.0 3.0
   54    58    65    66   0.00000  1.0 1.0
   54    58    65    67   0.00000  1.0 1.0
   54    58    65    72   0.05050  1.0 1.0
   54    58    65    72  -1.30700 -1.0 2.0
   54    58    65    72   0.91550  1.0 3.0
   55    54    58    65   0.03000  1.0 3.0
   58    65    72    73   0.00000  1.0 1.0
   66    65    72    73   0.00000  1.0 1.0
   67    65    72    73   0.00000  1.0 1.0
   56    47    54    33   0.62750  1.0 1.0
   56    47    54    33  -0.30950 -1.0 2.0
   56    47    54    33   0.27300  1.0 3.0
   56    47    54    55   0.23400  1.0 3.0
   56    47    54    58   1.11900  1.0 1.0
   56    47    54    58  -1.16350 -1.0 2.0
   56    47    54    58  -0.34150  1.0 3.0
   56    59    68    69   0.00000  1.0 1.0
   60    59    68    69   0.00000  1.0 1.0
   61    59    68    69   0.00000  1.0 1.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    54   0.86500  1.0 1.0
   49    44    47    54  -0.17500 -1.0 2.0
   49    44    47    54   0.20800  1.0 3.0
   49    44    47    56   3.69350  1.0 1.0
   49    44    47    56  -1.82950 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   3.69350  1.0 1.0
   46    40    44    49  -1.82950 -1.0 2.0
   46    51    57    62   0.05050  1.0 1.0
   46    51    57    62  -1.30700 -1.0 2.0
   46    51    57    62   0.91550  1.0 3.0
   51    57    62    63   0.03000  1.0 3.0
   51    57    62    64   0.03000  1.0 3.0
   51    57    62    70  -2.65550  1.0 1.0
   51    57    62    70  -0.22350 -1.0 2.0
   51    57    62    70   0.24150  1.0 3.0
   52    51    57    62   0.00000  1.0 1.0
   53    51    57    62   0.00000  1.0 1.0
   57    62    70    71   0.23400  1.0 3.0
   57    62    70    74   0.62750  1.0 1.0
   57    62    70    74  -0.30950 -1.0 2.0
   57    62    70    74   0.27300  1.0 3.0
   57    62    70    77   1.11900  1.0 1.0
   57    62    70    77  -1.16350 -1.0 2.0
   57    62    70    77  -0.34150  1.0 3.0
   62    70    74    75   0.15000  1.0 3.0
   62    70    74    76   0.15000  1.0 3.0
   62    70    74    78   0.62750  1.0 1.0
   62    70    74    78  -0.30950 -1.0 2.0
   62    70    74    78   0.27300  1.0 3.0
   62    70    77    79  -0.25900  1.0 1.0
   62    70    77    79  -0.47000 -1.0 2.0
   62    70    77    79   0.11750  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    74   0.15000  1.0 3.0
   63    62    70    77   0.23400  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    74   0.15000  1.0 3.0
   64    62    70    77   0.23400  1.0 3.0
   70    74    78    81  -0.25900  1.0 1.0
   70    74    78    81  -0.47000 -1.0 2.0
   70    74    78    81   0.11750  1.0 3.0
   70    77    79    80   3.00000 -1.0 2.0
   70    77    79    83   1.63150  1.0 1.0
   70    77    79    83   2.92000 -1.0 2.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    77    79   0.08050  1.0 3.0
   74    70    77    79  -0.25900  1.0 1.0
   74    70    77    79  -0.47000 -1.0 2.0
   74    70    77    79   0.11750  1.0 3.0
   74    78    81    82   3.00000 -1.0 2.0
   74    78    81    87   1.63150  1.0 1.0
   74    78    81    87   2.92000 -1.0 2.0
   75    74    78    81   0.08050  1.0 3.0
   76    74    78    81   0.08050  1.0 3.0
   78    81    87    88   0.00000  1.0 1.0
   78    81    87    89   0.00000  1.0 1.0
   78    81    87    90   0.00000  1.0 1.0
   82    81    87    88   0.00000  1.0 1.0
   82    81    87    89   0.00000  1.0 1.0
   82    81    87    90   0.00000  1.0 1.0
   77    70    74    75   0.23400  1.0 3.0
   77    70    74    76   0.23400  1.0 3.0
   77    70    74    78   1.11900  1.0 1.0
   77    70    74    78  -1.16350 -1.0 2.0
   77    70    74    78  -0.34150  1.0 3.0
   77    79    83    84   0.00000  1.0 1.0
   77    79    83    85   0.00000  1.0 1.0
   77    79    83    86   0.00000  1.0 1.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    85   0.00000  1.0 1.0
   80    79    83    86   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -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
   78    87    81    82  10.50000 -1.0 2.0
   77    83    79    80  10.50000 -1.0 2.0
END
