* LIGAND DATABASE FILE (OPLS2005)
*
001      83    82    146    208     423
    1     0 S   NP   _N1_     1    28.44630    93.39853   -21.43072
    2     1 S   H    _HN1     2     1.02756    92.03437   -84.40254
    3     1 S   H    _H1_     3     1.03224    90.79314    23.74964
    4     1 S   H    _H2_     4     1.02867    28.59916   150.16807
    5     1 S   CT   _CA1     5     1.50333   139.13300   147.27754
    6     5 S   HC   _HA1     6     1.09672   104.99636    62.74371
    7     5 S   CO3  _C1_     7     1.54162   110.72861   -54.38607
    8     7 S   O2Z  _O11     8     1.26106   116.15993   -97.07432
    9     7 S   O2Z  _O12     9     1.26435   114.13043    81.17957
   10     5 S   CT   _CB1    10     1.53049   106.93796   178.70080
   11    10 S   HC   HB11    11     1.09844   109.37611   -51.46702
   12    10 S   HC   HB12    12     1.09572   110.43635    64.80618
   13    10 S   CT   _CG1    13     1.52943   112.85285  -172.54881
   14    13 S   HC   HG11    14     1.09535   110.88011   -60.82477
   15    13 S   HC   HG12    15     1.09649   109.93077    58.46222
   16    13 S   C    _CD1    16     1.51806   111.91560   178.59389
   17    16 S   O    _OE1    17     1.22753   123.25292    -2.77784
   18    16 S   N    _N2_    18     1.38629   111.78038   177.75092
   19    18 S   H    _HN2    19     1.01600   119.04350     0.35773
   20    18 S   CT1  _CA2    20     1.46150   123.17333   177.21329
   21    20 S   HC   _HA2    21     1.09744   109.31852    -4.19377
   22    20 S   C    _C2_    22     1.53473   108.43983  -119.52556
   23    22 S   O    _O2_    23     1.23042   122.34741  -148.01133
   24    20 S   CTL  _CB2    32     1.53315   111.94091   117.82791
   25    24 S   HC   HB21    33     1.09583   110.07271    57.12847
   26    24 S   HC   HB22    34     1.09554   109.78735   176.14583
   27    22 S   N    _N3_    24     1.38355   113.57826    39.47304
   28    27 S   H    _HN3    25     1.01622   119.54373    -3.47457
   29    24 S   S    _SG2    35     1.82572   111.62360   -63.86679
   30    27 S   CT   _CA3    26     1.45286   123.12839   177.00481
   31    30 S   HC   HA31    27     1.09551   107.53601   -64.01521
   32    30 S   HC   HA32    28     1.09560   107.94339    52.39920
   33    29 S   S    _S2_    36     2.05440   101.94411  -174.01994
   34    30 S   CO3  _C3_    29     1.52933   114.12681   174.41742
   35    34 S   O2Z  _O31    30     1.26365   116.06321     0.56023
   36    34 S   O2Z  _O32    31     1.26422   114.41327  -179.38834
   37    33 S   CTL  _C16    37     1.83221   104.08356   -80.56161
   38    37 S   HC   _H21    38     1.09677   104.83773   162.10455
   39    37 S   HC   _H22    39     1.09577   109.55023    48.04659
   40    37 S   CT1  _C15    40     1.53645   113.53214   -78.63504
   41    40 S   HC   _H6_    41     1.09658   109.56874   -42.67898
   42    40 S   C    _C14    42     1.52929   110.98321    81.08340
   43    42 S   O    _O36    43     1.23022   122.24199    59.81519
   44    40 S   NT   _N7_    78     1.47555   107.99423  -161.21833
   45    44 S   H    _H23    79     1.02058   109.81772   -68.36098
   46    42 S   N    _N6_    44     1.38464   113.03931  -121.37553
   47    46 S   H    _H20    45     1.01597   119.77387     1.92458
   48    44 S   CT   _C17    80     1.45653   112.93368   168.56987
   49    48 S   HC   _H24    81     1.09472   111.24153   -57.84996
   50    48 S   HC   _H25    82     1.09451   109.21843  -176.15773
   51    48 S   HC   _H26    83     1.09430   112.15141    64.67586
   52    46 S   CT1  _C12    46     1.45577   122.68650  -177.19914
   53    52 S   HC   _H5_    47     1.09557   108.30556   -31.54976
   54    52 S   C    _C11    48     1.52572   108.08822  -149.67497
   55    54 S   O    _O35    49     1.22994   122.70027   -20.69599
   56    52 S   CT   _C13    74     1.52327   110.54320    89.14418
   57    56 S   HC   _H17    75     1.09618   111.04488    58.94000
   58    56 S   HC   _H18    76     1.09444   111.53106   178.72928
   59    56 S   HC   _H19    77     1.09519   110.91410   -60.64470
   60    54 S   N    _N5_    50     1.38685   112.77799   160.77907
   61    60 S   H    _H16    51     1.01972   119.12909     0.32865
   62    60 S   CT1  _C5_    52     1.45597   122.43186  -178.86875
   63    62 S   HC   _H3_    53     1.09654   107.84280   -42.34848
   64    62 S   C    _C6_    54     1.52697   109.01311  -160.77480
   65    64 S   O    _O33    55     1.22961   123.11884   -22.73872
   66    62 S   CT   _C4_    70     1.52564   111.22278    77.88651
   67    66 S   HC   _H7_    71     1.09564   111.15577    61.50397
   68    66 S   HC   _H8_    72     1.09505   111.21376  -178.77715
   69    66 S   HC   _H9_    73     1.09490   111.26178   -58.39256
   70    64 S   N    _N4_    56     1.38578   112.57612   160.04019
   71    70 S   H    _H10    57     1.01529   119.58887    -0.00000
   72    70 S   CT1  _C7_    58     1.45878   122.80618   178.74041
   73    72 S   HC   _H4_    59     1.09740   108.27092    32.33136
   74    72 S   CO4  _C9_    60     1.52822   106.12512   -83.38367
   75    74 S   O    _O34    61     1.23164   122.66591   -41.18097
   76    72 S   CT   _C8_    66     1.53617   112.79732   157.08134
   77    76 S   SM   _S1_    67     1.83477   110.53572   -71.82365
   78    76 S   HC   _H11    68     1.09803   109.26874    51.92027
   79    76 S   HC   _H12    69     1.09762   108.72233   166.01169
   80    74 S   CT   _C10    62     1.50719   116.42415   140.28972
   81    80 S   HC   _H13    63     1.09256   109.69734    59.46300
   82    80 S   HC   _H14    64     1.09352   109.69350   179.01206
   83    80 S   HC   _H15    65     1.09285   109.52924   -61.68336
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   7   2   1   1  10   5   4  12   6  10   4   6   4  10   4   3
   2   1   1  10   7  11   4   4   2   1   1  10   4  10   7  11
   4   4   2   1   1  10   4  11   7   9   5   4   2   1   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    44  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    44    45    48  
   39    40    41    42    44  
   40    41    42    44  
   41    42    43    46    47    52    44    45    48    49    50    51  
   42    43    46    44    45    48  
   43    46    47    52    53    54    56    44    45    48  
   46    47    52    44  
   45    48    49    50    51    46  
   48    49    50    51  
   47    52    53    54    55    60    56    57    58    59  
   52    53    54    56  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    60    61    62    56    57    58    59  
   54    55    60    56    57    58    59  
   55    60    61    62    63    64    66    56    57    58    59  
   60    61    62    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    70    66    67    68    69  
   62    63    64    66  
   63    64    65    70    71    72    66    67    68    69  
   64    65    70    66    67    68    69  
   65    70    71    72    73    74    76    66    67    68    69  
   70    71    72    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    75    80    76    77    78    79  
   72    73    74    76  
   73    74    75    80    81    82    83    76    77    78    79  
   74    75    80    76    77    78    79  
   75    80    81    82    83    76    77    78    79  
   80    81    82    83    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5000   0.0660   0.020000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   71   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.300000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   78   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   317.000  1.522
   40    44   305.000  1.457
   42    43   570.000  1.229
   42    46   490.000  1.335
   46    47   434.000  1.010
   46    52   337.000  1.449
   52    53   340.000  1.090
   52    54   317.000  1.522
   52    56   268.000  1.529
   54    55   570.000  1.229
   54    60   490.000  1.335
   60    61   434.000  1.010
   60    62   337.000  1.449
   62    63   340.000  1.090
   62    64   317.000  1.522
   62    66   268.000  1.529
   64    65   570.000  1.229
   64    70   490.000  1.335
   70    71   434.000  1.010
   70    72   337.000  1.449
   72    73   340.000  1.090
   72    74   255.000  1.522
   72    76   268.000  1.529
   74    75   570.000  1.229
   74    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   76    77   222.000  1.810
   76    78   340.000  1.090
   76    79   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   44    45   434.000  1.010
   44    48   382.000  1.448
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    50.00000  114.70000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    50.00000  114.70000
   37    40    41    37.50000  110.70000
   37    40    42    63.00000  111.10000
   37    40    44    80.00000  111.22000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    42    43    80.00000  120.40000
   40    42    46    70.00000  116.60000
   40    44    45    50.00000  111.55300
   40    44    48    51.80000  107.20000
   42    40    41    35.00000  109.50000
   42    46    47    35.00000  119.80000
   42    46    52    50.00000  121.90000
   46    42    43    80.00000  122.90000
   46    52    53    35.00000  109.50000
   46    52    54    63.00000  110.10000
   46    52    56    80.00000  109.70000
   52    46    47    38.00000  118.40000
   52    54    55    80.00000  120.40000
   52    54    60    70.00000  116.60000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    59    37.50000  110.70000
   54    52    53    35.00000  109.50000
   54    60    61    35.00000  119.80000
   54    60    62    50.00000  121.90000
   60    54    55    80.00000  122.90000
   60    62    63    35.00000  109.50000
   60    62    64    63.00000  110.10000
   60    62    66    80.00000  109.70000
   62    60    61    38.00000  118.40000
   62    64    65    80.00000  120.40000
   62    64    70    70.00000  116.60000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   64    62    63    35.00000  109.50000
   64    70    71    35.00000  119.80000
   64    70    72    50.00000  121.90000
   70    64    65    80.00000  122.90000
   70    72    73    35.00000  109.50000
   70    72    74    80.00000  110.29000
   70    72    76    80.00000  109.70000
   72    70    71    38.00000  118.40000
   72    74    75    75.00000  123.42600
   72    74    80    65.00000  117.09000
   72    76    77    50.00000  114.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   74    72    73    45.00000  110.09800
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    35.00000  109.50000
   80    74    75    80.00000  120.40000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   76    72    73    37.50000  110.70000
   76    72    74    70.00000  110.61500
   78    76    77    35.00000  109.50000
   79    76    77    35.00000  109.50000
   79    76    78    33.00000  107.80000
   66    62    63    37.50000  110.70000
   66    62    64    63.00000  111.10000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    63.00000  111.10000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   44    40    41    50.00000  109.55000
   44    40    42    75.00000  111.54000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   48    44    45    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.22600  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -3.70700 -1.0 2.0
   24    29    33    37   0.85250  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.27900  1.0 3.0
   29    33    37    39   0.27900  1.0 3.0
   29    33    37    40   0.97050  1.0 1.0
   29    33    37    40  -0.41800 -1.0 2.0
   29    33    37    40   0.46750  1.0 3.0
   33    37    40    41   0.22600  1.0 3.0
   33    37    40    42  -2.17200  1.0 1.0
   33    37    40    42  -0.85700 -1.0 2.0
   33    37    40    44   0.56750  1.0 1.0
   33    37    40    44  -0.07550 -1.0 2.0
   33    37    40    44   0.20000  1.0 3.0
   37    40    42    43   0.00000  1.0 1.0
   37    40    42    46   0.93250  1.0 1.0
   37    40    42    46   0.04450 -1.0 2.0
   37    40    42    46   0.17550  1.0 3.0
   37    40    44    45  -0.05950  1.0 1.0
   37    40    44    45   0.08850 -1.0 2.0
   37    40    44    45   0.11750  1.0 3.0
   37    40    44    48   0.23450  1.0 1.0
   37    40    44    48   0.02050 -1.0 2.0
   37    40    44    48   0.25250  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42  -0.03800  1.0 3.0
   38    37    40    44   0.15000  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42  -0.03800  1.0 3.0
   39    37    40    44   0.15000  1.0 3.0
   40    42    46    47   2.45000 -1.0 2.0
   40    42    46    52   1.15000  1.0 1.0
   40    42    46    52   3.04450 -1.0 2.0
   40    44    48    49   0.28000  1.0 3.0
   40    44    48    50   0.28000  1.0 3.0
   40    44    48    51   0.28000  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   41    40    44    45   0.20000  1.0 3.0
   41    40    44    48   0.28000  1.0 3.0
   42    40    44    45   0.21900  1.0 1.0
   42    40    44    45  -0.24900 -1.0 2.0
   42    40    44    45   0.15200  1.0 3.0
   42    40    44    48  -1.76800  1.0 1.0
   42    40    44    48   1.02600 -1.0 2.0
   42    40    44    48   0.19700  1.0 3.0
   42    46    52    53   0.00000  1.0 1.0
   42    46    52    54  -0.29800  1.0 1.0
   42    46    52    54   0.13950 -1.0 2.0
   42    46    52    54  -2.45650  1.0 3.0
   42    46    52    56   0.25950  1.0 1.0
   42    46    52    56   0.43850 -1.0 2.0
   42    46    52    56   2.61650  1.0 3.0
   43    42    46    47   2.45000 -1.0 2.0
   43    42    46    52   3.04450 -1.0 2.0
   46    52    54    55   0.00000  1.0 1.0
   46    52    54    60   0.37150  1.0 1.0
   46    52    54    60   1.25400 -1.0 2.0
   46    52    54    60  -0.40250  1.0 3.0
   46    52    56    57   0.23200  1.0 3.0
   46    52    56    58   0.23200  1.0 3.0
   46    52    56    59   0.23200  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    54   0.00000  1.0 1.0
   47    46    52    56   0.00000  1.0 1.0
   52    54    60    61   2.45000 -1.0 2.0
   52    54    60    62   1.15000  1.0 1.0
   52    54    60    62   3.04450 -1.0 2.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    60   0.00000  1.0 1.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    59   0.15000  1.0 3.0
   54    52    56    57  -0.03800  1.0 3.0
   54    52    56    58  -0.03800  1.0 3.0
   54    52    56    59  -0.03800  1.0 3.0
   54    60    62    63   0.00000  1.0 1.0
   54    60    62    64  -0.29800  1.0 1.0
   54    60    62    64   0.13950 -1.0 2.0
   54    60    62    64  -2.45650  1.0 3.0
   54    60    62    66   0.25950  1.0 1.0
   54    60    62    66   0.43850 -1.0 2.0
   54    60    62    66   2.61650  1.0 3.0
   55    54    60    61   2.45000 -1.0 2.0
   55    54    60    62   3.04450 -1.0 2.0
   60    62    64    65   0.00000  1.0 1.0
   60    62    64    70   0.37150  1.0 1.0
   60    62    64    70   1.25400 -1.0 2.0
   60    62    64    70  -0.40250  1.0 3.0
   60    62    66    67   0.23200  1.0 3.0
   60    62    66    68   0.23200  1.0 3.0
   60    62    66    69   0.23200  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    66   0.00000  1.0 1.0
   62    64    70    71   2.45000 -1.0 2.0
   62    64    70    72   1.15000  1.0 1.0
   62    64    70    72   3.04450 -1.0 2.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    70   0.00000  1.0 1.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   64    62    66    67  -0.03800  1.0 3.0
   64    62    66    68  -0.03800  1.0 3.0
   64    62    66    69  -0.03800  1.0 3.0
   64    70    72    73   0.00000  1.0 1.0
   64    70    72    74  -0.29800  1.0 1.0
   64    70    72    74   0.13950 -1.0 2.0
   64    70    72    74  -2.45650  1.0 3.0
   64    70    72    76   0.25950  1.0 1.0
   64    70    72    76   0.43850 -1.0 2.0
   64    70    72    76   2.61650  1.0 3.0
   65    64    70    71   2.45000 -1.0 2.0
   65    64    70    72   3.04450 -1.0 2.0
   70    72    74    75   0.00000  1.0 1.0
   70    72    74    80   0.65300  1.0 1.0
   70    72    74    80  -0.03850 -1.0 2.0
   70    72    74    80   0.33900  1.0 3.0
   70    72    76    77   0.71400  1.0 1.0
   70    72    76    77   0.04300 -1.0 2.0
   70    72    76    77   0.01450  1.0 3.0
   70    72    76    78   0.23200  1.0 3.0
   70    72    76    79   0.23200  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    72    76   0.00000  1.0 1.0
   72    74    80    81   0.00000  1.0 1.0
   72    74    80    82   0.00000  1.0 1.0
   72    74    80    83   0.00000  1.0 1.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    80   0.00000  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   74    72    76    77  -2.17200  1.0 1.0
   74    72    76    77  -0.85700 -1.0 2.0
   74    72    76    78  -0.03800  1.0 3.0
   74    72    76    79  -0.03800  1.0 3.0
   75    74    80    81   0.00000  1.0 1.0
   75    74    80    82   0.00000  1.0 1.0
   75    74    80    83   0.00000  1.0 1.0
   76    72    74    75   0.00000  1.0 1.0
   76    72    74    80   0.60050  1.0 1.0
   76    72    74    80   0.05600 -1.0 2.0
   76    72    74    80   0.26150  1.0 3.0
   66    62    64    65   0.00000  1.0 1.0
   66    62    64    70   0.93250  1.0 1.0
   66    62    64    70   0.04450 -1.0 2.0
   66    62    64    70   0.17550  1.0 3.0
   56    52    54    55   0.00000  1.0 1.0
   56    52    54    60   0.93250  1.0 1.0
   56    52    54    60   0.04450 -1.0 2.0
   56    52    54    60   0.17550  1.0 3.0
   44    40    42    43   0.30150 -1.0 2.0
   44    40    42    46   0.00000  1.0 1.0
   45    44    48    49   0.20000  1.0 3.0
   45    44    48    50   0.20000  1.0 3.0
   45    44    48    51   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   40    46    42    43  10.50000 -1.0 2.0
   47    42    46    52   1.00000 -1.0 2.0
   52    60    54    55  10.50000 -1.0 2.0
   61    54    60    62   1.00000 -1.0 2.0
   62    70    64    65  10.50000 -1.0 2.0
   71    64    70    72   1.00000 -1.0 2.0
   72    80    74    75  10.50000 -1.0 2.0
END
