* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    156    233     429
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02130    93.17453   -63.70807
    3     1 S   H    _H1_     3     1.02069    87.23590    44.92736
    4     1 S   H    _H2_     4     1.02092    33.16124   176.21121
    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     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   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     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   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   C4T  _C17    36     1.80543    98.16150   161.78140
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   S    _S35    37     1.82490   116.65296   -68.76632
   38    33 S   S    _S36    40     1.82515   116.67243  -171.05921
   39    33 S   CM   _C9_    78     1.46578   111.09445    59.98035
   40    37 S   C4T  _C14    38     1.82576    80.21896  -154.41302
   41    40 S   HC   _H40    39     1.09345   115.65233   -82.46537
   42    39 S   CMA  _C10    79     1.34319   119.75914    71.73262
   43    42 S   OM   _O26    80     1.39665   119.67362     0.35166
   44    42 S   OM   _O27    81     1.39580   120.69752   178.17587
   45    39 S   C    _C11    82     1.49922   120.30121  -108.84807
   46    45 S   O    _O30    83     1.22795   122.74913    60.62748
   47    40 S   C    _C12    41     1.52942   111.24601   147.35736
   48    47 S   O    _O33    42     1.22603   119.54178   -48.24966
   49    45 S   N    _N23    84     1.37631   113.87576  -119.36980
   50    49 S   H    _H50    85     1.01508   119.70375    -0.00000
   51    49 S   H    _H51    86     1.01462   120.54121   180.00000
   52    47 S   N    _N24    43     1.38181   114.03097   131.81856
   53    52 S   H    _H52    44     1.01520   118.42504    -0.09487
   54    52 S   C4T  _C16    45     1.44556   123.16090   179.92338
   55    54 S   C4   _C7_    46     1.55555   112.14470   -59.95790
   56    55 S   O    _O28    47     1.20872   136.55130    72.49358
   57    54 S   C4T  _C15    55     1.54333   112.36652  -154.18429
   58    57 S   HC   _H41    56     1.09735   114.93884  -142.71535
   59    54 S   OS   _O34    73     1.44196   113.54040    68.17967
   60    55 S   N4   _N22    48     1.35114    89.57091  -103.42406
   61    59 S   CT   _C19    74     1.41335   110.74280    71.76630
   62    61 S   HC   _H45    75     1.09301   109.53518   180.00000
   63    61 S   HC   _H46    76     1.09268   109.60223    59.15183
   64    61 S   HC   _H47    77     1.09266   108.95926   -60.49648
   65    60 S   CM   _C5_    49     1.35818   139.07378   170.31308
   66    65 S   CM   _C6_    50     1.35441   121.44270  -165.02977
   67    65 S   CO3  _C8_    70     1.52377   118.53287    11.62351
   68    67 S   O2Z  _O25    71     1.25850   114.69449    93.24231
   69    67 S   O2Z  _O29    72     1.25939   114.64937   -86.70753
   70    66 S   CT   _C13    51     1.52719   123.36686     4.50054
   71    70 S   HC   _H38    52     1.09563   109.59439   138.35011
   72    70 S   HC   _H39    53     1.09583   109.45490  -103.59660
   73    66 S   CT   _C20    57     1.50868   124.34981  -176.27721
   74    73 S   HC   _H48    58     1.08634   108.85519   149.98438
   75    73 S   HC   _H49    59     1.08647   108.97308    30.97132
   76    70 S   S    _S34    54     1.82534   114.49277    19.14735
   77    73 S   S    _S37    60     1.80050   109.36678   -89.68280
   78    77 S   CRA  _C4_    61     1.76924   100.31574   180.00000
   79    78 S   N5B  _N18    62     1.31264   127.65519    -0.00000
   80    79 S   N5B  _N19    63     1.37663   105.68627  -179.95577
   81    80 S   N5A  _N20    64     1.32766   111.05194    -0.01978
   82    78 S   NA   _N21    65     1.35911   123.82593  -180.00000
   83    82 S   CT   _C18    66     1.44081   129.89268    -0.08393
   84    83 S   HC   _H42    67     1.09335   107.95468    90.00269
   85    83 S   HC   _H43    68     1.09315   109.48863  -149.72778
   86    83 S   HC   _H44    69     1.09371   109.31168   -30.21070
  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
  12   2   1   1   9   8   9   6   3   5   2   1   4   3   7   3
   2   1   1  10   4  13  10   4  11   5   6   8   3   2   1   1
  12  12   4   1   1   7   3   2   7   3   2   1   6   8   4   3
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    38    39    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    38    47    39    42    43    44    45    46    49  
   35    36  
   36  
    0  
   40    41    38    47    48    52    39    42    45  
   47    48    52    39    42    45    40    41  
   42    43    44    45    46    49    50    51    40  
   41    47    48    52    53    54  
   47    48    52  
   43    44    45    46    49  
   44    45  
   45  
   46    49    50    51  
   49    50    51  
   48    52    53    54    55    57    59  
   52    53    54  
   50    51  
   51  
    0  
   53    54    55    56    60    76    57    58    59    61  
   54    55    57    59  
   55    56    60    65    70    76    57    58    59    61    62    63    64  
   56    60    65    66    76    57    58    67    59    61  
   60    65    57    59  
   58    67    59    61    60    65    66    70    71    72    76  
   59    60    65    70    76  
   61    62    63    64    60    76  
   65    66    70    76    73    67    68    69  
   62    63    64  
   63    64  
   64  
    0  
   66    70    71    72    76    73    74    75    77    67    68    69  
   70    71    72    76    73    74    75    77    78    67    68    69  
   68    69    70    73  
   69  
    0  
   71    72    76    73    74    75    77  
   72    76    73  
   76    73  
   74    75    77    78    79    82    76  
   75    77    78  
   77    78  
    0  
   78    79    80    81    82    83  
   79    80    81    82    83    84    85    86  
   80    81    82    83  
   81    82    83  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.324000   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   0.469500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.6000   0.3550  -0.313000   2.0300   1.8000   0.025682759  -1.666211680
   38   3.6000   0.3550  -0.313000   2.0300   1.8000   0.025682759  -1.666211680
   39   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660   0.253000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   55   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   77   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   78   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   79   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   80   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   81   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   82   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   83   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   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   200.000  1.824
   33    37   200.000  1.824
   33    38   200.000  1.824
   33    39   317.000  1.510
   37    40   200.000  1.824
   40    41   340.000  1.090
   40    38   200.000  1.824
   40    47   317.000  1.522
   47    48   570.000  1.229
   47    52   490.000  1.335
   52    53   434.000  1.010
   52    54   337.000  1.449
   54    55   250.000  1.540
   54    57   268.000  1.529
   54    59   320.000  1.410
   55    56   930.000  1.212
   55    60   440.000  1.369
   60    65   400.000  1.384
   60    57   305.000  1.456
   65    66   549.000  1.340
   65    67   230.000  1.545
   66    70   317.000  1.510
   66    73   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   222.000  1.810
   76    57   200.000  1.824
   57    58   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   222.000  1.810
   77    78   245.000  1.755
   78    79   488.000  1.335
   78    82   477.000  1.343
   79    80   290.000  1.379
   80    81   420.000  1.291
   81    82   400.000  1.349
   82    83   320.000  1.443
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   67    68   656.000  1.250
   67    69   656.000  1.250
   59    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   39    42   465.000  1.376
   39    45   410.000  1.444
   42    43   745.000  1.250
   42    44   745.000  1.250
   45    46   570.000  1.229
   45    49   490.000  1.335
   49    50   434.000  1.010
   49    51   434.000  1.010
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    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    85.00000   99.86700
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  118.28000
   29    33    38    75.00000  118.28000
   29    33    39    75.00000  112.20000
   33    37    40    60.00000   90.00000
   33    38    40    60.00000   90.00000
   33    39    42    70.00000  124.00000
   33    39    45    70.00000  119.70000
   37    40    41    45.00000  109.41400
   37    40    38    65.00000   91.00000
   37    40    47    70.00000  112.33000
   40    47    48    80.00000  120.40000
   40    47    52    70.00000  116.60000
   38    33    37    65.00000   91.00000
   38    40    41    45.00000  109.41400
   47    40    41    35.00000  109.50000
   47    40    38    70.00000  112.33000
   47    52    53    35.00000  119.80000
   47    52    54    50.00000  121.90000
   52    47    48    80.00000  122.90000
   52    54    55    75.00000  110.24000
   52    54    57    80.00000  110.05700
   52    54    59    95.00000  111.00000
   54    52    53    38.00000  118.40000
   54    55    56    60.00000  136.58000
   54    55    60    95.00000   92.72400
   54    57    60   105.00000   87.49700
   54    57    76    65.00000  119.05700
   54    57    58    37.50000  110.70000
   54    59    61    60.00000  109.50000
   55    60    65    50.00000  132.10000
   55    60    57   100.00000   93.00000
   60    55    56    75.00000  131.60000
   60    65    66    75.00000  120.83300
   60    65    67    80.00000  114.48000
   60    57    76    80.00000  108.62000
   60    57    58    50.00000  112.01000
   65    66    70    70.00000  124.00000
   65    66    73    70.00000  124.00000
   65    67    68    85.00000  113.83300
   65    67    69    85.00000  113.83300
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    76    75.00000  112.20000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    77    75.00000  112.20000
   70    76    57    85.00000   99.86700
   72    70    71    33.00000  107.80000
   76    70    71    35.00000  109.50000
   76    70    72    35.00000  109.50000
   76    57    58    45.00000  109.41400
   57    54    55   100.00000   86.36000
   57    60    65    50.00000  132.70000
   73    66    70    65.00000  117.92700
   73    77    78    85.00000   97.05500
   75    73    74    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    35.00000  109.50000
   77    78    79    70.00000  126.12900
   77    78    82    70.00000  123.45500
   78    79    80   100.00000  108.10500
   78    82    81    95.00000  110.06400
   78    82    83    60.00000  127.66100
   79    80    81   100.00000  111.97400
   80    81    82   110.00000  106.81600
   81    82    83    75.00000  118.68000
   82    78    79    70.00000  120.00000
   82    83    84    50.00000  108.61900
   82    83    85    50.00000  108.61900
   82    83    86    50.00000  108.61900
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   67    65    66    55.00000  124.75400
   69    67    68    80.00000  126.00000
   59    54    55    90.00000  108.55600
   59    54    57    50.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   39    33    37    75.00000  112.20000
   39    33    38    75.00000  112.20000
   39    42    43    65.00000  137.10300
   39    42    44    65.00000  137.10300
   39    45    46    80.00000  125.30000
   39    45    49    80.00000  111.56200
   44    42    43    65.00000  121.00000
   45    39    42    60.00000  120.04000
   45    49    50    35.00000  119.80000
   45    49    51    35.00000  119.80000
   49    45    46    80.00000  122.90000
   51    49    50    35.00000  120.00000
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  -0.25000 -1.0 2.0
   20    24    29    33  -0.01800  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    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   0.08500  1.0 1.0
   24    29    33    37  -0.53150 -1.0 2.0
   24    29    33    37   0.48050  1.0 3.0
   24    29    33    38   0.08500  1.0 1.0
   24    29    33    38  -0.53150 -1.0 2.0
   24    29    33    38   0.48050  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    37    40   0.08500  1.0 1.0
   29    33    37    40  -0.53150 -1.0 2.0
   29    33    37    40   0.48050  1.0 3.0
   29    33   -38    40   0.08500  1.0 1.0
   29    33   -38    40  -0.53150 -1.0 2.0
   29    33   -38    40   0.48050  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   29    33    39    45   0.09700  1.0 1.0
   29    33    39    45   0.15600 -1.0 2.0
   29    33    39    45  -0.50800  1.0 3.0
   33    37    40    41   0.00000  1.0 1.0
   33    37   -40    38   0.00000  1.0 1.0
   33    37    40    47   0.01700  1.0 1.0
   33    37    40    47  -0.23550 -1.0 2.0
   33    37    40    47   0.21350  1.0 3.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    44   7.00000 -1.0 2.0
   33    39    45    46  -0.64400  1.0 1.0
   33    39    45    46   0.26850 -1.0 2.0
   33    39    45    49   1.59650  1.0 1.0
   33    39    45    49   0.42750 -1.0 2.0
   33    39    45    49  -0.48350  1.0 3.0
   37    33   -38    40   0.00000  1.0 1.0
   37    33    39    42   0.42700  1.0 1.0
   37    33    39    42  -0.70350 -1.0 2.0
   37    33    39    42  -0.43150  1.0 3.0
   37    33    39    45   0.09700  1.0 1.0
   37    33    39    45   0.15600 -1.0 2.0
   37    33    39    45  -0.50800  1.0 3.0
   37    40   -38    33   0.00000  1.0 1.0
   37    40    47    48   0.30150 -1.0 2.0
   37    40    47    52   0.00000  1.0 1.0
   40    47    52    53   2.45000 -1.0 2.0
   40    47    52    54   1.49850  1.0 1.0
   40    47    52    54   1.53950 -1.0 2.0
   41    40   -38    33   0.00000  1.0 1.0
   41    40    47    48   0.00000  1.0 1.0
   41    40    47    52   0.00000  1.0 1.0
   38    33   -37    40   0.00000  1.0 1.0
   38    33    39    42   0.42700  1.0 1.0
   38    33    39    42  -0.70350 -1.0 2.0
   38    33    39    42  -0.43150  1.0 3.0
   38    33    39    45   0.09700  1.0 1.0
   38    33    39    45   0.15600 -1.0 2.0
   38    33    39    45  -0.50800  1.0 3.0
   38    40    47    48   0.30150 -1.0 2.0
   38    40    47    52   0.00000  1.0 1.0
   47    40   -38    33   0.01700  1.0 1.0
   47    40   -38    33  -0.23550 -1.0 2.0
   47    40   -38    33   0.21350  1.0 3.0
   47    52    54    55  -0.42300  1.0 1.0
   47    52    54    55  -0.07000 -1.0 2.0
   47    52    54    55   0.04150  1.0 3.0
   47    52    54    57  -0.43950  1.0 1.0
   47    52    54    57  -0.08100 -1.0 2.0
   47    52    54    57   0.03350  1.0 3.0
   47    52    54    59  -2.75650  1.0 1.0
   47    52    54    59  -1.18150 -1.0 2.0
   47    52    54    59   0.81900  1.0 3.0
   48    47    52    53   2.45000 -1.0 2.0
   48    47    52    54   3.04450 -1.0 2.0
   52    54    55    56   0.30150 -1.0 2.0
   52    54    55    60   0.00000  1.0 1.0
   52    54   -57    60   2.20050  1.0 1.0
   52    54   -57    60   0.63450 -1.0 2.0
   52    54   -57    60  -0.91300  1.0 3.0
   52    54    57    76   0.00000  1.0 1.0
   52    54    57    58   0.15000  1.0 3.0
   52    54    59    61  -2.37750  1.0 1.0
   52    54    59    61  -0.08150 -1.0 2.0
   52    54    59    61   0.59000  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    57   0.00000  1.0 1.0
   53    52    54    59   0.00000  1.0 1.0
   54    55    60    65   3.00000 -1.0 2.0
   54    55   -60    57   3.00000 -1.0 2.0
   54    59    61    62   0.37050  1.0 3.0
   54    59    61    63   0.37050  1.0 3.0
   54    59    61    64   0.37050  1.0 3.0
   55    54   -57    60   3.00000 -1.0 2.0
   55    54    57    76   0.00000  1.0 1.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    59    61  -1.11000  1.0 1.0
   55    54    59    61   0.50250 -1.0 2.0
   55    54    59    61   0.47450  1.0 3.0
   55    60    65    66   0.00000  1.0 1.0
   55    60    65    67   0.00000  1.0 1.0
   55    60   -57    54   0.00000  1.0 1.0
   55    60   -57    76   0.00000  1.0 1.0
   55    60   -57    58   0.00000  1.0 1.0
   56    55    60    65   3.00000 -1.0 2.0
   56    55    60    57   3.00000 -1.0 2.0
   60    65    66    70   7.00000 -1.0 2.0
   60    65    66    73   7.00000 -1.0 2.0
   60    65    67    68   1.91650 -1.0 2.0
   60    65    67    69   1.91650 -1.0 2.0
   65    60   -57    54   0.00000  1.0 1.0
   65    60    57    76   0.00000  1.0 1.0
   65    60    57    58   0.00000  1.0 1.0
   65    66    70    71   0.00000  1.0 1.0
   65    66    70    72   0.00000  1.0 1.0
   65    66   -70    76   0.42700  1.0 1.0
   65    66   -70    76  -0.70350 -1.0 2.0
   65    66   -70    76  -0.43150  1.0 3.0
   65    66    73    74   0.00000  1.0 1.0
   65    66    73    75   0.00000  1.0 1.0
   65    66    73    77   0.42700  1.0 1.0
   65    66    73    77  -0.70350 -1.0 2.0
   65    66    73    77  -0.43150  1.0 3.0
   66    65    67    68  -0.04000 -1.0 2.0
   66    65    67    68  -0.29050  1.0 3.0
   66    65    67    69  -0.04000 -1.0 2.0
   66    65    67    69  -0.29050  1.0 3.0
   66    70    76    57  -0.70200  1.0 1.0
   66    70    76    57  -0.14350 -1.0 2.0
   66    70    76    57   0.55200  1.0 3.0
   66    73    77    78   0.00000  1.0 1.0
   70    66    73    74   0.34800  1.0 3.0
   70    66    73    75   0.34800  1.0 3.0
   70    66    73    77   0.30250  1.0 1.0
   70    66    73    77  -0.14950 -1.0 2.0
   70    66    73    77   0.36900  1.0 3.0
   70    76    57    54   0.25150  1.0 1.0
   70    76    57    54  -1.17200 -1.0 2.0
   70    76    57    54   0.53050  1.0 3.0
   70    76   -57    60   0.01700  1.0 1.0
   70    76   -57    60  -0.23550 -1.0 2.0
   70    76   -57    60   0.21350  1.0 3.0
   70    76    57    58   0.00000  1.0 1.0
   71    70    76    57   0.32350  1.0 3.0
   72    70    76    57   0.32350  1.0 3.0
   57    54   -55    56  -0.11250  1.0 1.0
   57    54   -55    56   0.11400 -1.0 2.0
   57    54   -55    56  -0.28950  1.0 3.0
   57    54   -55    60   3.00000 -1.0 2.0
   57    54    59    61   0.06250  1.0 1.0
   57    54    59    61  -0.01100 -1.0 2.0
   57    54    59    61   0.28050  1.0 3.0
   57    60   -65    66   0.00000  1.0 1.0
   57    60    65    67   0.00000  1.0 1.0
   73    66    70    71   0.34800  1.0 3.0
   73    66    70    72   0.34800  1.0 3.0
   73    66    70    76   0.30250  1.0 1.0
   73    66    70    76  -0.14950 -1.0 2.0
   73    66    70    76   0.36900  1.0 3.0
   73    77    78    79   0.63150 -1.0 2.0
   73    77    78    82   0.63150 -1.0 2.0
   74    73    77    78   0.24000  1.0 3.0
   75    73    77    78   0.24000  1.0 3.0
   77    78    79    80   3.62500 -1.0 2.0
   77    78    82    81   3.62500 -1.0 2.0
   77    78    82    83   3.62500 -1.0 2.0
   78    79   -80    81   3.62500 -1.0 2.0
   78    82    83    84   0.00000  1.0 1.0
   78    82    83    85   0.00000  1.0 1.0
   78    82    83    86   0.00000  1.0 1.0
   79    78   -82    81   3.62500 -1.0 2.0
   79    78    82    83   3.62500 -1.0 2.0
   79    80   -81    82   3.62500 -1.0 2.0
   80    81   -82    78   3.62500 -1.0 2.0
   80    81    82    83   3.62500 -1.0 2.0
   81    82    83    84   0.00000  1.0 1.0
   81    82    83    85   0.00000  1.0 1.0
   81    82    83    86   0.00000  1.0 1.0
   82    78   -79    80   3.62500 -1.0 2.0
   67    65    66    70   7.00000 -1.0 2.0
   67    65    66    73   7.00000 -1.0 2.0
   59    54    55    56   0.30150 -1.0 2.0
   59    54    55    60   0.00000  1.0 1.0
   59    54   -57    60   1.12100  1.0 1.0
   59    54   -57    60  -0.16500 -1.0 2.0
   59    54    57    76   0.00000  1.0 1.0
   59    54    57    58   0.15000  1.0 3.0
   39    33    37    40  -0.70200  1.0 1.0
   39    33    37    40  -0.14350 -1.0 2.0
   39    33    37    40   0.55200  1.0 3.0
   39    33   -38    40  -0.70200  1.0 1.0
   39    33   -38    40  -0.14350 -1.0 2.0
   39    33   -38    40   0.55200  1.0 3.0
   39    45    49    50   2.56700 -1.0 2.0
   39    45    49    51   2.56700 -1.0 2.0
   42    39    45    46   1.00000 -1.0 2.0
   42    39    45    49   0.49500  1.0 1.0
   42    39    45    49   1.31600 -1.0 2.0
   42    39    45    49  -0.02300  1.0 3.0
   45    39    42    43   7.00000 -1.0 2.0
   45    39    42    44   7.00000 -1.0 2.0
   46    45    49    50   2.45000 -1.0 2.0
   46    45    49    51   2.45000 -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
   36    30    34    35  10.50000 -1.0 2.0
   40    52    47    48  10.50000 -1.0 2.0
   53    47    52    54   1.00000 -1.0 2.0
   54    60    55    56  10.50000 -1.0 2.0
   57    55    60    65   1.00000 -1.0 2.0
   60    67    65    66   1.10000 -1.0 2.0
   70    73    66    65   1.10000 -1.0 2.0
   79    82    78    77   4.00000 -1.0 2.0
   81    83    82    78   4.00000 -1.0 2.0
   68    65    67    69  10.50000 -1.0 2.0
   33    45    39    42  15.00000 -1.0 2.0
   43    44    42    39  15.00000 -1.0 2.0
   39    49    45    46  10.50000 -1.0 2.0
   51    45    49    50   1.00000 -1.0 2.0
END
