* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    161    233     470
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02051    48.36873    99.94612
    3     1 S   H    _H1_     3     1.02110    64.06524  -104.80022
    4     1 S   H    _H2_     4     1.02044   105.71382    -1.31700
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C11    36     1.83161    97.77293  -178.15400
   34    33 S   HC   _H3_    37     1.10658   105.76529    38.14599
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C9_    38     1.54167   111.06508   -80.02866
   39    38 S   HC   _H35    39     1.10452   111.55999    43.20197
   40    38 S   CT   _C7_    40     1.53418   113.24166   -81.09746
   41    40 S   HC   _H33    41     1.08480   108.83601  -166.12597
   42    38 S   OH   _O23    87     1.43107   108.50643   159.77521
   43    42 S   HO   _H53    88     0.96791   106.37966  -177.29238
   44    40 S   CT   _C5_    42     1.52866   110.83966   -45.68004
   45    44 S   HC   _H31    43     1.05364   111.58938   -67.63946
   46    40 S   OS   _O26    82     1.42668   109.45363    76.37423
   47    44 S   OS   _O19    44     1.42091   111.36644    55.12097
   48    44 S   C    _C4_    78     1.49582   111.39477   172.85955
   49    48 S   O    _O16    79     1.22195   125.06131  -117.80372
   50    46 S   CT   _C15    83     1.41965   111.40688    77.67634
   51    50 S   HC   _H41    84     1.09282   109.50755   179.97202
   52    50 S   HC   _H42    85     1.09316   109.56146    59.19102
   53    50 S   HC   _H43    86     1.09229   109.02907   -60.45667
   54    33 S   CO   _C14    45     1.54002   109.70390   155.33609
   55    54 S   HC   _H40    46     1.14061   108.80146   -41.52522
   56    48 S   OH   _O21    80     1.35611   110.65591    62.29822
   57    56 S   HO   _H51    81     0.98112   111.92301   179.83687
   58    54 S   OS   _O25    47     1.42930   110.91504  -157.06207
   59    58 S   CT   _C10    48     1.42590   111.39678   147.55519
   60    59 S   HC   _H36    49     1.09782   107.60095     0.02798
   61    59 S   CT   _C8_    50     1.53219   107.98038   117.27999
   62    61 S   HC   _H34    51     1.09649   110.38111    47.88139
   63    61 S   CT   _C6_    52     1.53102   110.42779   171.30453
   64    63 S   HC   _H32    53     1.10637   107.40519    66.23256
   65    61 S   OH   _O22    76     1.42906   108.73897   -69.49462
   66    65 S   HO   _H52    77     0.96867   106.30716   -60.29728
   67    63 S   CO   _C13    54     1.53180   110.90023   -51.62154
   68    67 S   HC   _H39    55     1.09441   109.32180   173.99198
   69    63 S   NTH2 _N15    73     1.44476   111.30812  -175.92350
   70    69 S   H    _H49    74     0.99611   117.93138   -34.27528
   71    69 S   H    _H50    75     0.99570   117.96757   159.09741
   72    67 S   OS   _O20    56     1.42917   109.93968    56.42725
   73    67 S   OS   _O27    68     1.42585   110.46978   -67.66037
   74    59 S   CT   _C12    57     1.53286   110.34131  -120.88172
   75    74 S   HC   _H38    58     1.09758   110.28959   -52.09534
   76    73 S   CT   _C16    69     1.41935   111.37489  -160.01151
   77    76 S   HC   _H44    70     1.09301   109.53670   179.98022
   78    76 S   HC   _H45    71     1.09343   109.50440    59.23595
   79    76 S   HC   _H46    72     1.09238   108.97447   -60.39596
   80    74 S   CT   _C17    59     1.52605   112.00437    67.29624
   81    80 S   HC   _H47    60     1.08957   109.97311   -60.01614
   82    80 S   HC   _H48    61     1.09036   109.92196   179.02763
   83    80 S   OS   _O28    62     1.41543   108.56074    59.52971
   84    83 S   SY   _S30    63     1.63779   119.99065   179.96574
   85    84 S   OY   _O17    64     1.45112   107.68235   -59.95480
   86    84 S   OY   _O18    65     1.45073   108.77399    71.71153
   87    84 S   OS   _O24    66     1.63105   103.54607  -173.69740
   88    87 S   HO   _H54    67     0.98529   115.65788  -175.21930
  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
  14   8   2   1   1  14   7  15   7   4   1  11   6   6   7   4
   2   3   2   1   1   6   2   1   1  10  16   8  15   7  12   8
   4   1  13   5   4   1   1   8   5   6   4   3   2   1   1   7
   3   2   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    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    54    55    58    59    46    42    43  
   38    39    40    47    54    55    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    54    55    58    48    46    50    42    43  
   40    41    44    54    46    42    43  
   41    44    45    47    54    48    49    56    46    50    51    52    53    42    43  
   44    45    47    48    46    50    42  
   43    44    46    54  
    0  
   45    47    54    55    58    48    49    56    57    46    50  
   47    54    48    49    56    46  
   50    51    52    53    47    48  
   54    55    58    59    48    49    56  
   49    56    57    54  
   56    57  
   51    52    53  
   52    53  
   53  
    0  
   55    58    59    60    61    74  
   58    59  
   57  
    0  
   59    60    61    62    63    72    74    75    80    65  
   60    61    62    63    64    67    72    74    75    80    81    82    83    69    65    66  
   61    62    63    72    74    75    80    65  
   62    63    64    67    68    72    74    75    80    73    69    70    71    65    66  
   63    64    67    74    69    65    66  
   64    67    68    72    74    73    76    69    70    71    65    66  
   67    68    72    73    69    70    71    65  
   66    67    69    74  
    0  
   68    72    74    75    80    73    76    77    78    79    69    70    71  
   72    74    73    76    69  
   70    71    72    73  
   71  
    0  
   74    75    80    81    82    83    73    76  
   76    77    78    79    74  
   75    80    81    82    83    84  
   80    81    82    83  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86    87  
   82    83    84  
   83    84  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   47   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.051100   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.280900   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5500   0.2500   1.247600   2.0025   1.7750   0.025682759  -1.666211680
   85   2.9600   0.1700  -0.514000   1.6780   1.4800   0.001000000  -0.126889456
   86   2.9600   0.1700  -0.514000   1.6780   1.4800   0.001000000  -0.126889456
   87   2.9000   0.1400  -0.541600   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.431800   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    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   250.000  1.527
   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   320.000  1.410
   44    48   317.000  1.522
   47    54   320.000  1.380
   54    55   340.000  1.090
   54    58   320.000  1.380
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    74   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   320.000  1.410
   63    64   340.000  1.090
   63    67   250.000  1.527
   63    69   300.000  1.468
   67    68   340.000  1.090
   67    72   320.000  1.380
   67    73   320.000  1.380
   72    74   320.000  1.410
   74    75   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   320.000  1.410
   83    84   335.000  1.682
   84    85   735.000  1.471
   84    86   735.000  1.471
   84    87   335.000  1.682
   87    88   553.000  0.945
   73    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   69    70   495.000  1.019
   69    71   495.000  1.019
   65    66   553.000  0.945
   48    49   570.000  1.229
   48    56   450.000  1.364
   56    57   553.000  0.945
   46    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    90.00000  108.56700
   33    54    55    45.00000  112.01100
   33    54    58    90.00000  108.56700
   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    50.00000  109.50000
   40    44    48    63.00000  111.10000
   40    46    50    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    47    54    60.00000  109.50000
   44    48    49    80.00000  120.40000
   44    48    56    70.00000  108.00000
   47    44    45    35.00000  109.50000
   47    54    55    35.00000  109.50000
   47    54    58    92.60000  111.55000
   54    33    34    45.00000  108.72000
   54    33    38    75.00000  109.43000
   54    58    59    60.00000  109.50000
   58    54    55    35.00000  109.50000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   58    59    74    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    63    58.35000  112.70000
   59    61    65    50.00000  109.50000
   59    74    72    50.00000  109.50000
   59    74    75    37.50000  110.70000
   59    74    80    58.35000  112.70000
   61    59    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    67    75.00000  109.43000
   61    63    69    80.00000  112.76400
   61    65    66    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    67    68    45.00000  112.01100
   63    67    72    90.00000  108.56700
   63    67    73    90.00000  108.56700
   63    69    70    50.00000  110.30900
   63    69    71    50.00000  110.30900
   67    63    64    45.00000  108.72000
   67    72    74    60.00000  109.50000
   67    73    76    60.00000  109.50000
   72    67    68    35.00000  109.50000
   72    74    75    35.00000  109.50000
   72    74    80    50.00000  109.50000
   74    59    60    37.50000  110.70000
   74    59    61    58.35000  112.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    83    50.00000  109.50000
   80    74    75    37.50000  110.70000
   80    83    84   100.00000  113.05000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   83    84    85   135.00000  106.70400
   83    84    86   135.00000  106.70400
   83    84    87   135.00000  103.05200
   84    87    88    65.00000  110.03400
   86    84    85   115.00000  120.17200
   87    84    85   135.00000  106.70400
   87    84    86   135.00000  106.70400
   73    67    68    35.00000  109.50000
   73    67    72    92.60000  111.55000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   69    63    64    50.00000  110.79000
   69    63    67    80.00000  112.76400
   71    69    70    40.00000  106.77200
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    44    47    90.00000  108.55600
   48    56    57    35.00000  113.00000
   56    48    49   100.00000  123.32000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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   0.56750  1.0 1.0
   29    33    54    47  -0.07550 -1.0 2.0
   29    33    54    47   0.20000  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    59   0.06250  1.0 1.0
   33    54    58    59  -0.01100 -1.0 2.0
   33    54    58    59   0.28050  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   0.23400  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   0.62750  1.0 1.0
   38    33    54    47  -0.30950 -1.0 2.0
   38    33    54    47   0.27300  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   0.62750  1.0 1.0
   38    40   -44    47  -0.30950 -1.0 2.0
   38    40   -44    47   0.27300  1.0 3.0
   38    40    44    48  -0.95700  1.0 1.0
   38    40    44    48  -0.18200 -1.0 2.0
   38    40    44    48   0.29450  1.0 3.0
   38    40    46    50   0.06250  1.0 1.0
   38    40    46    50  -0.01100 -1.0 2.0
   38    40    46    50   0.28050  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    54   0.06250  1.0 1.0
   40    44    47    54  -0.01100 -1.0 2.0
   40    44    47    54   0.28050  1.0 3.0
   40    44    48    49   0.30150 -1.0 2.0
   40    44    48    56   0.50000  1.0 1.0
   40    44    48    56   0.27300 -1.0 2.0
   40    44    48    56   0.22500  1.0 3.0
   40    46    50    51   0.37050  1.0 3.0
   40    46    50    52   0.37050  1.0 3.0
   40    46    50    53   0.37050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   41    40    44    48  -0.11250  1.0 3.0
   41    40    46    50   0.37050  1.0 3.0
   44    40    46    50   0.06250  1.0 1.0
   44    40    46    50  -0.01100 -1.0 2.0
   44    40    46    50   0.28050  1.0 3.0
   44    47   -54    33   0.06250  1.0 1.0
   44    47   -54    33  -0.01100 -1.0 2.0
   44    47   -54    33   0.28050  1.0 3.0
   44    47    54    55   0.37050  1.0 3.0
   44    47    54    58  -0.81800  1.0 1.0
   44    48    56    57   1.50000  1.0 1.0
   44    48    56    57   2.45000 -1.0 2.0
   45    44    47    54   0.37050  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    56   0.00000  1.0 1.0
   47    44    48    49   0.30150 -1.0 2.0
   47    44    48    56   0.40000  1.0 3.0
   47    54    58    59  -0.53350  1.0 1.0
   47    54    58    59  -0.78350 -1.0 2.0
   47    54    58    59   0.33750  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   3.97050  1.0 1.0
   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    58    59    60   0.37050  1.0 3.0
   54    58    59    61   0.06250  1.0 1.0
   54    58    59    61  -0.01100 -1.0 2.0
   54    58    59    61   0.28050  1.0 3.0
   54    58    59    74   0.06250  1.0 1.0
   54    58    59    74  -0.01100 -1.0 2.0
   54    58    59    74   0.28050  1.0 3.0
   55    54    58    59   0.37050  1.0 3.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63   0.62750  1.0 1.0
   58    59    61    63  -0.30950 -1.0 2.0
   58    59    61    63   0.27300  1.0 3.0
   58    59    61    65   3.69350  1.0 1.0
   58    59    61    65  -1.82950 -1.0 2.0
   58    59    74    72   1.11900  1.0 1.0
   58    59    74    72  -1.16350 -1.0 2.0
   58    59    74    72  -0.34150  1.0 3.0
   58    59    74    75   0.23400  1.0 3.0
   58    59    74    80   0.62750  1.0 1.0
   58    59    74    80  -0.30950 -1.0 2.0
   58    59    74    80   0.27300  1.0 3.0
   59    61    63    64   0.15000  1.0 3.0
   59    61    63    67   3.97050  1.0 1.0
   59    61    63    69   1.85550  1.0 1.0
   59    61    63    69  -0.84100 -1.0 2.0
   59    61    65    66  -0.11600  1.0 1.0
   59    61    65    66  -0.09450 -1.0 2.0
   59    61    65    66   0.21250  1.0 3.0
   59    74    80    81   0.15000  1.0 3.0
   59    74    80    82   0.15000  1.0 3.0
   59    74    80    83   0.62750  1.0 1.0
   59    74    80    83  -0.30950 -1.0 2.0
   59    74    80    83   0.27300  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    65   0.23400  1.0 3.0
   60    59    74    72   0.23400  1.0 3.0
   60    59    74    75   0.15000  1.0 3.0
   60    59    74    80   0.15000  1.0 3.0
   61    59    74    72   0.62750  1.0 1.0
   61    59    74    72  -0.30950 -1.0 2.0
   61    59    74    72   0.27300  1.0 3.0
   61    59    74    75   0.15000  1.0 3.0
   61    59    74    80   0.56750  1.0 1.0
   61    59    74    80  -0.07550 -1.0 2.0
   61    59    74    80   0.20000  1.0 3.0
   61    63    67    68   0.15000  1.0 3.0
   61    63   -67    72   0.62750  1.0 1.0
   61    63   -67    72  -0.30950 -1.0 2.0
   61    63   -67    72   0.27300  1.0 3.0
   61    63    67    73   0.62750  1.0 1.0
   61    63    67    73  -0.30950 -1.0 2.0
   61    63    67    73   0.27300  1.0 3.0
   61    63    69    70   0.21650  1.0 1.0
   61    63    69    70   0.26250 -1.0 2.0
   61    63    69    70   0.12450  1.0 3.0
   61    63    69    71   0.21650  1.0 1.0
   61    63    69    71   0.26250 -1.0 2.0
   61    63    69    71   0.12450  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    63    69   0.15000  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   63    61    65    66  -0.11600  1.0 1.0
   63    61    65    66  -0.09450 -1.0 2.0
   63    61    65    66   0.21250  1.0 3.0
   63    67    72    74   0.06250  1.0 1.0
   63    67    72    74  -0.01100 -1.0 2.0
   63    67    72    74   0.28050  1.0 3.0
   63    67    73    76   0.06250  1.0 1.0
   63    67    73    76  -0.01100 -1.0 2.0
   63    67    73    76   0.28050  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    72   0.23400  1.0 3.0
   64    63    67    73   0.23400  1.0 3.0
   64    63    69    70   0.20000  1.0 3.0
   64    63    69    71   0.20000  1.0 3.0
   67    63    69    70   0.21650  1.0 1.0
   67    63    69    70   0.26250 -1.0 2.0
   67    63    69    70   0.12450  1.0 3.0
   67    63    69    71   0.21650  1.0 1.0
   67    63    69    71   0.26250 -1.0 2.0
   67    63    69    71   0.12450  1.0 3.0
   67    72   -74    59   0.06250  1.0 1.0
   67    72   -74    59  -0.01100 -1.0 2.0
   67    72   -74    59   0.28050  1.0 3.0
   67    72    74    75   0.37050  1.0 3.0
   67    72    74    80   0.06250  1.0 1.0
   67    72    74    80  -0.01100 -1.0 2.0
   67    72    74    80   0.28050  1.0 3.0
   67    73    76    77   0.37050  1.0 3.0
   67    73    76    78   0.37050  1.0 3.0
   67    73    76    79   0.37050  1.0 3.0
   68    67    72    74   0.37050  1.0 3.0
   68    67    73    76   0.37050  1.0 3.0
   72    67    73    76  -0.53350  1.0 1.0
   72    67    73    76  -0.78350 -1.0 2.0
   72    67    73    76   0.33750  1.0 3.0
   72    74    80    81   0.23400  1.0 3.0
   72    74    80    82   0.23400  1.0 3.0
   72    74    80    83   1.11900  1.0 1.0
   72    74    80    83  -1.16350 -1.0 2.0
   72    74    80    83  -0.34150  1.0 3.0
   74    59    61    62   0.15000  1.0 3.0
   74    59   -61    63   0.56750  1.0 1.0
   74    59   -61    63  -0.07550 -1.0 2.0
   74    59   -61    63   0.20000  1.0 3.0
   74    59    61    65   0.86500  1.0 1.0
   74    59    61    65  -0.17500 -1.0 2.0
   74    59    61    65   0.20800  1.0 3.0
   74    80    83    84   0.37500  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    83   0.23400  1.0 3.0
   80    83    84    85   0.29800  1.0 3.0
   80    83    84    86   0.29800  1.0 3.0
   80    83    84    87   0.00000  1.0 1.0
   81    80    83    84   0.00000  1.0 1.0
   82    80    83    84   0.00000  1.0 1.0
   83    84    87    88   0.00000  1.0 1.0
   85    84    87    88   0.67600  1.0 1.0
   85    84    87    88   0.52900 -1.0 2.0
   85    84    87    88   0.12800  1.0 3.0
   86    84    87    88   0.67600  1.0 1.0
   86    84    87    88   0.52900 -1.0 2.0
   86    84    87    88   0.12800  1.0 3.0
   73    67    72    74  -0.81800  1.0 1.0
   69    63    67    68   0.15000  1.0 3.0
   69    63    67    72   3.18800  1.0 1.0
   69    63    67    72  -1.12350 -1.0 2.0
   69    63    67    73   3.18800  1.0 1.0
   69    63    67    73  -1.12350 -1.0 2.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    67   0.86500  1.0 1.0
   65    61    63    67  -0.17500 -1.0 2.0
   65    61    63    67   0.20800  1.0 3.0
   65    61    63    69   5.28650  1.0 1.0
   48    44    47    54  -1.11000  1.0 1.0
   48    44    47    54   0.50250 -1.0 2.0
   48    44    47    54   0.47450  1.0 3.0
   49    48    56    57   0.92200  1.0 1.0
   49    48    56    57   3.74100 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   1.11900  1.0 1.0
   46    40    44    47  -1.16350 -1.0 2.0
   46    40    44    47  -0.34150  1.0 3.0
   46    40    44    48  -0.09450  1.0 1.0
   46    40    44    48  -1.12950 -1.0 2.0
   46    40    44    48   0.54000  1.0 3.0
   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
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   44    56    48    49  10.50000 -1.0 2.0
END
