* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    152    244     454
    1     0 S   NP   _N1_     1    29.24389    95.45321   -24.41599
    2     1 S   H    _HN1     2     1.02950    76.57711    10.95769
    3     1 S   H    _H1_     3     1.02834    30.90064  -178.62513
    4     1 S   H    _H2_     4     1.02786   113.81123   -93.45228
    5     1 S   CT   _CA1     5     1.50105   127.84277   116.55275
    6     5 S   HC   _HA1     6     1.09572   105.20311    89.01231
    7     5 S   CO3  _C1_     7     1.53784   112.45115   -31.24546
    8     7 S   O2Z  _O11     8     1.26370   114.99762   -42.95274
    9     7 S   O2Z  _O12     9     1.26237   114.94051   136.21131
   10     5 S   CT   _CB1    10     1.53086   107.44188  -152.99197
   11    10 S   HC   HB11    11     1.09835   109.39033   -49.75258
   12    10 S   HC   HB12    12     1.09813   110.44620    66.85568
   13    10 S   CT   _CG1    13     1.53004   112.59591  -170.72600
   14    13 S   HC   HG11    14     1.09579   110.64907   -65.51151
   15    13 S   HC   HG12    15     1.09668   109.77775    53.72969
   16    13 S   C    _CD1    16     1.51780   112.19105   174.20976
   17    16 S   O    _OE1    17     1.22722   123.24163     7.67629
   18    16 S   N    _N2_    18     1.38608   111.73348  -172.51827
   19    18 S   H    _HN2    19     1.01588   118.93390     1.32810
   20    18 S   CT1  _CA2    20     1.46092   123.42659   177.33376
   21    20 S   HC   _HA2    21     1.09414   109.15590     0.85547
   22    20 S   C    _C2_    22     1.53430   108.56454  -113.89590
   23    22 S   O    _O2_    23     1.23021   122.39789  -145.51182
   24    20 S   CT   _CB2    32     1.53171   111.63845   123.26219
   25    24 S   HC   HB21    33     1.09662   109.54759    56.14686
   26    24 S   HC   HB22    34     1.09373   111.26192   173.29425
   27    22 S   N    _N3_    24     1.38329   113.44084    42.27381
   28    27 S   H    _HN3    25     1.01594   119.58707    -3.95909
   29    24 S   S    _SG2    35     1.83084   113.79787   -63.09442
   30    27 S   CT   _CA3    26     1.45265   123.24273   176.39761
   31    30 S   HC   HA31    27     1.09551   107.86327   -56.29668
   32    30 S   HC   HA32    28     1.09547   107.65188    60.13938
   33    29 S   CT   _C22    36     1.83087   100.95741   -71.40109
   34    33 S   HC   _H3_    37     1.09027   108.27670    52.20169
   35    33 S   HC   _H4_    38     1.09611   106.45841   166.38868
   36    30 S   CO3  _C3_    29     1.52950   113.99239  -178.14544
   37    36 S   O2Z  _O31    30     1.26384   116.03451     0.02798
   38    36 S   O2Z  _O32    31     1.26414   114.43669  -179.94766
   39    33 S   CT   _C16    39     1.52781   113.06750   -72.61534
   40    39 S   HC   _H40    40     1.09500   112.90248    42.75302
   41    39 S   CO4  _C6_    41     1.52572   112.35126   -80.10869
   42    41 S   O    _O21    42     1.22069   126.54356    41.20887
   43    41 S   OS   _O24    43     1.37629   109.71678  -139.09547
   44    43 S   CT   _C18    44     1.42721   107.73815    -9.12141
   45    44 S   HC   _H42    45     1.09892   106.65725   -83.54611
   46    44 S   CT   _C15    46     1.53772   114.61810   154.01594
   47    46 S   HC   _H39    47     1.09970   107.03452   -54.50987
   48    39 S   CT   _C17    61     1.52706   113.24400   168.47679
   49    48 S   HC   _H41    62     1.10180   107.47526    41.74586
   50    46 S   CM   _C4_    48     1.50873   110.13013    63.28783
   51    50 S   CO4  _C5_    49     1.48203   121.29403    92.29927
   52    51 S   O    _O20    50     1.22705   122.47915  -173.35111
   53    50 S   CM   _C7_    80     1.34379   121.67131   -90.55987
   54    53 S   HC   _H28    81     1.08582   120.84043     1.57122
   55    53 S   HC   _H29    82     1.08525   122.76850  -178.57715
   56    51 S   OS   _O23    51     1.35407   116.81759     8.05435
   57    56 S   CT   _C14    52     1.44299   124.59649    -9.13480
   58    57 S   HC   _H37    53     1.09448   106.68444   -91.29823
   59    57 S   HC   _H38    54     1.09709   106.50370   156.07725
   60    46 S   CT   _C20    55     1.55801   110.70997  -173.39069
   61    60 S   CT   _C13    56     1.55838   111.24082    47.74504
   62    61 S   HC   _H35    57     1.09883   110.18688  -170.74511
   63    61 S   HC   _H36    58     1.10069   109.29133    74.78734
   64    60 S   CM   _C10    75     1.53282   114.99824   168.25900
   65    64 S   HC   _H34    76     1.09073   115.35066   171.20835
   66    61 S   CT   _C19    59     1.54317   115.36376   -46.87373
   67    66 S   HC   _H43    60     1.09662   111.27382   -68.19406
   68    64 S   CM   _C8_    77     1.33906   128.51884   -10.00921
   69    68 S   HC   _H30    78     1.08563   119.92964  -179.47885
   70    68 S   HC   _H31    79     1.08250   123.12724     0.03426
   71    66 S   OS   _O26    63     1.44014   108.42787   170.99584
   72    71 S   CO4  _C12    64     1.36029   117.26757    84.25013
   73    72 S   O    _O22    65     1.22247   126.04992     3.39356
   74    72 S   CM   _C11    66     1.48761   109.51760  -176.49636
   75    74 S   CM   _C9_    67     1.34151   116.98449  -159.47768
   76    75 S   HC   _H32    68     1.08569   121.05845   179.59846
   77    75 S   HC   _H33    69     1.08548   122.41436     0.13848
   78    74 S   CT   _C21    70     1.49812   120.30626    20.25899
   79    78 S   HC   _H44    71     1.09438   111.10531   -57.06972
   80    78 S   HC   _H45    72     1.09532   111.61377  -177.52124
   81    78 S   OH   _O25    73     1.42208   109.28953    63.07923
   82    81 S   HO   _H48    74     0.97235   106.95839  -179.72732
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  15   7  21   8  10
   4  10   9   3   4   1   1   6  10   4   3  11   9   5   4   5
   3   5   2   2   1   1   5   9   3   8   6   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    66    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    61    66    67    48    49    71  
   41    42    43    44    66    48    49  
   42    43    44    45    46    66    48    49  
   43    44    48  
   44    45    46    47    50    60    66    48    49  
   45    46    47    50    51    57    60    61    66    67    48    49    71    64    53  
   46    47    50    60    66    48    49  
   47    50    51    52    56    57    58    59    60    61    62    63    66    48    49    64    65    68    53    54    55  
   50    51    57    60    61    48    64    53  
   49    71    72    50    60    61    62    63    66    67  
   71    61    66    67  
   51    52    56    57    60    61    64    53    54    55  
   52    56    57    58    59    60    53    54    55  
   56    57    53  
   54    55    56    60  
   55  
    0  
   57    58    59    60    61    64  
   58    59    60    61    62    63    66    64    65    68  
   59    60    61    64  
   60    61    64  
   61    62    63    66    67    71    64    65    68    69    70  
   62    63    66    67    71    72    64    65    68  
   63    66    67    71    64  
   66    67    71    64  
   65    68    69    70    66  
   68    69    70  
   67    71    72    73    74  
   71    72  
   69    70  
   70  
    0  
   72    73    74    75    78  
   73    74    75    76    77    78    79    80    81  
   74    75    78  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    60   268.000  1.529
   50    51   320.000  1.462
   50    53   549.000  1.340
   51    52   570.000  1.229
   51    56   214.000  1.327
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   268.000  1.529
   60    64   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    48   268.000  1.529
   66    71   320.000  1.410
   48    49   340.000  1.090
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   320.000  1.410
   81    82   553.000  0.945
   64    65   340.000  1.080
   64    68   549.000  1.340
   68    69   340.000  1.080
   68    70   340.000  1.080
   53    54   340.000  1.080
   53    55   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    66    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    60    58.35000  112.70000
   44    48    66    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    65.00000  116.34900
   46    50    53    70.00000  124.00000
   46    60    57    58.35000  112.70000
   46    60    61    58.35000  112.70000
   46    60    64    70.00000  112.02700
   50    46    47    35.00000  109.50000
   50    51    52    80.00000  123.72100
   50    51    56    90.00000  111.29400
   50    53    54    35.00000  120.00000
   50    53    55    35.00000  120.00000
   51    56    57    83.00000  116.90000
   56    51    52    83.00000  123.40000
   56    57    58    35.00000  109.50000
   56    57    59    35.00000  109.50000
   56    57    60    50.00000  109.50000
   57    60    61    58.35000  112.70000
   57    60    64    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    46    47    37.50000  110.70000
   60    46    50    70.00000  112.02700
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    61    62    37.50000  110.70000
   60    61    63    37.50000  110.70000
   60    61    66    58.35000  112.70000
   60    64    65    35.00000  117.00000
   60    64    68    70.00000  124.00000
   61    66    67    37.50000  110.70000
   61    66    48    58.35000  112.70000
   61    66    71    50.00000  109.50000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    48    49    37.50000  110.70000
   66    71    72    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    66    67    37.50000  110.70000
   71    66    67    35.00000  109.50000
   71    66    48    50.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    90.00000  111.29400
   72    74    75    65.00000  118.96000
   72    74    78    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    77    35.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    90.00000  110.39200
   77    75    76    35.00000  117.00000
   78    74    75    70.00000  124.00000
   78    81    82    55.00000  108.50000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   64    60    61    70.00000  112.02700
   64    68    69    35.00000  120.00000
   64    68    70    35.00000  120.00000
   68    64    65    35.00000  120.00000
   70    68    69    35.00000  117.00000
   53    50    51    65.00000  118.96000
   55    53    54    35.00000  117.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    66   0.56750  1.0 1.0
   33    39    48    66  -0.07550 -1.0 2.0
   33    39    48    66   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    66   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    66  -0.95700  1.0 1.0
   41    39    48    66  -0.18200 -1.0 2.0
   41    39    48    66   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    60   0.62750  1.0 1.0
   43    44    46    60  -0.30950 -1.0 2.0
   43    44    46    60   0.27300  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    66   0.62750  1.0 1.0
   43    44    48    66  -0.30950 -1.0 2.0
   43    44    48    66   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.09700  1.0 1.0
   44    46    50    51   0.15600 -1.0 2.0
   44    46    50    51  -0.50800  1.0 3.0
   44    46    50    53   0.09850  1.0 1.0
   44    46    50    53   0.15250 -1.0 2.0
   44    46    50    53  -0.50650  1.0 3.0
   44    46    60    57   0.56750  1.0 1.0
   44    46    60    57  -0.07550 -1.0 2.0
   44    46    60    57   0.20000  1.0 3.0
   44    46    60    61   0.56750  1.0 1.0
   44    46    60    61  -0.07550 -1.0 2.0
   44    46    60    61   0.20000  1.0 3.0
   44    46    60    64   0.34400  1.0 1.0
   44    46    60    64   0.09450 -1.0 2.0
   44    46    60    64   0.11100  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    60   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    66   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    66   0.56750  1.0 1.0
   46    44    48    66  -0.07550 -1.0 2.0
   46    44    48    66   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52  -0.64400  1.0 1.0
   46    50    51    52   0.26850 -1.0 2.0
   46    50    51    56  -0.15000  1.0 1.0
   46    50    51    56   0.89550 -1.0 2.0
   46    50    51    56  -0.06900  1.0 3.0
   46    50    53    54   7.00000 -1.0 2.0
   46    50    53    55   7.00000 -1.0 2.0
   46    60    61    62   0.15000  1.0 3.0
   46    60    61    63   0.15000  1.0 3.0
   46    60   -61    66   0.56750  1.0 1.0
   46    60   -61    66  -0.07550 -1.0 2.0
   46    60   -61    66   0.20000  1.0 3.0
   46    60    64    65   0.00000  1.0 1.0
   46    60    64    68   0.09850  1.0 1.0
   46    60    64    68   0.15250 -1.0 2.0
   46    60    64    68  -0.50650  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.00000  1.0 1.0
   47    46    60    57   0.15000  1.0 3.0
   47    46    60    61   0.15000  1.0 3.0
   47    46    60    64   0.15000  1.0 3.0
   50    46    60    57   0.34400  1.0 1.0
   50    46    60    57   0.09450 -1.0 2.0
   50    46    60    57   0.11100  1.0 3.0
   50    46    60    61   0.34400  1.0 1.0
   50    46    60    61   0.09450 -1.0 2.0
   50    46    60    61   0.11100  1.0 3.0
   50    46    60    64   0.31000  1.0 1.0
   50    46    60    64   0.14700 -1.0 2.0
   50    46    60    64   0.07550  1.0 3.0
   50    51   -56    57   2.00000 -1.0 2.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    55   7.00000 -1.0 2.0
   51    56    57    58   0.08050  1.0 3.0
   51    56    57    59   0.08050  1.0 3.0
   51    56    57    60  -0.25900  1.0 1.0
   51    56    57    60  -0.47000 -1.0 2.0
   51    56    57    60   0.11750  1.0 3.0
   52    51    56    57   3.00000 -1.0 2.0
   56    57   -60    46   0.62750  1.0 1.0
   56    57   -60    46  -0.30950 -1.0 2.0
   56    57   -60    46   0.27300  1.0 3.0
   56    57    60    61   0.62750  1.0 1.0
   56    57    60    61  -0.30950 -1.0 2.0
   56    57    60    61   0.27300  1.0 3.0
   56    57    60    64   0.61850  1.0 1.0
   56    57    60    64  -0.22750 -1.0 2.0
   56    57    60    64   0.15300  1.0 3.0
   57    60    61    62   0.15000  1.0 3.0
   57    60    61    63   0.15000  1.0 3.0
   57    60    61    66   0.56750  1.0 1.0
   57    60    61    66  -0.07550 -1.0 2.0
   57    60    61    66   0.20000  1.0 3.0
   57    60    64    65   0.00000  1.0 1.0
   57    60    64    68   0.09850  1.0 1.0
   57    60    64    68   0.15250 -1.0 2.0
   57    60    64    68  -0.50650  1.0 3.0
   58    57    60    46   0.15000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    64   0.15000  1.0 3.0
   59    57    60    46   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    64   0.15000  1.0 3.0
   60    46   -50    51   0.09700  1.0 1.0
   60    46   -50    51   0.15600 -1.0 2.0
   60    46   -50    51  -0.50800  1.0 3.0
   60    46    50    53   0.09850  1.0 1.0
   60    46    50    53   0.15250 -1.0 2.0
   60    46    50    53  -0.50650  1.0 3.0
   60    61    66    67   0.15000  1.0 3.0
   60    61    66    48   0.56750  1.0 1.0
   60    61    66    48  -0.07550 -1.0 2.0
   60    61    66    48   0.20000  1.0 3.0
   60    61    66    71   0.62750  1.0 1.0
   60    61    66    71  -0.30950 -1.0 2.0
   60    61    66    71   0.27300  1.0 3.0
   60    64    68    69   7.00000 -1.0 2.0
   60    64    68    70   7.00000 -1.0 2.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    68   0.09850  1.0 1.0
   61    60    64    68   0.15250 -1.0 2.0
   61    60    64    68  -0.50650  1.0 3.0
   61    66    48    39   0.56750  1.0 1.0
   61    66    48    39  -0.07550 -1.0 2.0
   61    66    48    39   0.20000  1.0 3.0
   61    66   -48    44   0.56750  1.0 1.0
   61    66   -48    44  -0.07550 -1.0 2.0
   61    66   -48    44   0.20000  1.0 3.0
   61    66    48    49   0.15000  1.0 3.0
   61    66    71    72  -0.25900  1.0 1.0
   61    66    71    72  -0.47000 -1.0 2.0
   61    66    71    72   0.11750  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    48   0.15000  1.0 3.0
   62    61    66    71   0.23400  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    48   0.15000  1.0 3.0
   63    61    66    71   0.23400  1.0 3.0
   66    71    72    73   3.00000 -1.0 2.0
   66    71    72    74   2.00000 -1.0 2.0
   67    66    48    39   0.15000  1.0 3.0
   67    66    48    44   0.15000  1.0 3.0
   67    66    48    49   0.15000  1.0 3.0
   67    66    71    72   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44   -46    60   0.56750  1.0 1.0
   48    44   -46    60  -0.07550 -1.0 2.0
   48    44   -46    60   0.20000  1.0 3.0
   48    66    71    72  -0.25900  1.0 1.0
   48    66    71    72  -0.47000 -1.0 2.0
   48    66    71    72   0.11750  1.0 3.0
   71    66    48    39   0.62750  1.0 1.0
   71    66    48    39  -0.30950 -1.0 2.0
   71    66    48    39   0.27300  1.0 3.0
   71    66    48    44   0.62750  1.0 1.0
   71    66    48    44  -0.30950 -1.0 2.0
   71    66    48    44   0.27300  1.0 3.0
   71    66    48    49   0.23400  1.0 3.0
   71    72    74    75  -0.56150  1.0 1.0
   71    72    74    75   2.19150 -1.0 2.0
   71    72    74    78  -0.15000  1.0 1.0
   71    72    74    78   0.89550 -1.0 2.0
   71    72    74    78  -0.06900  1.0 3.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    77   7.00000 -1.0 2.0
   72    74    78    79   0.15000  1.0 3.0
   72    74    78    80   0.15000  1.0 3.0
   72    74    78    81   0.09700  1.0 1.0
   72    74    78    81   0.15600 -1.0 2.0
   72    74    78    81  -0.50800  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    78  -0.64400  1.0 1.0
   73    72    74    78   0.26850 -1.0 2.0
   74    78    81    82  -0.07800  1.0 1.0
   74    78    81    82  -0.21500 -1.0 2.0
   74    78    81    82  -0.03150  1.0 3.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.67800  1.0 1.0
   75    74    78    81   0.47050 -1.0 2.0
   75    74    78    81  -0.62500  1.0 3.0
   78    74    75    76   7.00000 -1.0 2.0
   78    74    75    77   7.00000 -1.0 2.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   64    60    61    62   0.15000  1.0 3.0
   64    60    61    63   0.15000  1.0 3.0
   64    60    61    66   0.34400  1.0 1.0
   64    60    61    66   0.09450 -1.0 2.0
   64    60    61    66   0.11100  1.0 3.0
   65    64    68    69   7.00000 -1.0 2.0
   65    64    68    70   7.00000 -1.0 2.0
   53    50    51    52   1.00000 -1.0 2.0
   53    50    51    56  -0.56150  1.0 1.0
   53    50    51    56   2.19150 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    51    50    53   1.10000 -1.0 2.0
   50    56    51    52  10.50000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
   72    78    74    75  15.00000 -1.0 2.0
   76    77    75    74  15.00000 -1.0 2.0
   60    65    64    68  15.00000 -1.0 2.0
   69    70    68    64  15.00000 -1.0 2.0
   54    55    53    50   1.10000 -1.0 2.0
END
