* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    158    237     437
    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_    79     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    80     1.36080   119.58546    71.77726
   43    42 S   OM   _O25    81     1.26262   129.95248   179.28263
   44    39 S   C    _C11    85     1.49298   119.20817  -109.75272
   45    44 S   O    _O28    86     1.22032   126.08890    61.55287
   46    40 S   C    _C12    41     1.52942   111.24601   147.35736
   47    46 S   O    _O29    42     1.22603   119.54178   -48.24966
   48    42 S   NE   _N23    82     1.37376   122.35484    -1.59324
   49    48 S   H    _H50    83     1.01212   121.06640    -0.24549
   50    48 S   H    _H51    84     1.01203   118.94211  -179.74899
   51    44 S   OH   _O33    87     1.35446   110.21223  -118.92234
   52    51 S   HO   _H54    88     0.98118   111.96672  -179.55765
   53    46 S   N    _N24    43     1.38181   114.03097   131.81856
   54    53 S   H    _H52    44     1.01520   118.42504    -0.09487
   55    53 S   C4T  _C16    45     1.44556   123.16090   179.92338
   56    55 S   C4   _C7_    46     1.55555   112.14470   -59.95790
   57    56 S   O    _O26    47     1.20868   136.20748    72.45038
   58    55 S   C4T  _C15    55     1.54343   112.34653  -154.21787
   59    58 S   HC   _H41    56     1.09735   114.94176  -142.71969
   60    55 S   OS   _O34    74     1.44152   113.56834    68.20385
   61    56 S   N4   _N22    48     1.35114    89.57091  -103.42406
   62    60 S   CT   _C19    75     1.41321   110.77621    71.70742
   63    62 S   HC   _H45    76     1.09290   109.50633   179.97202
   64    62 S   HC   _H46    77     1.09268   109.56208    59.20035
   65    62 S   HC   _H47    78     1.09266   108.97856   -60.43563
   66    61 S   CM   _C5_    49     1.35855   139.06769   170.25414
   67    66 S   CM   _C6_    50     1.35413   121.43536  -165.05472
   68    66 S   C    _C8_    70     1.47034   116.98883    12.13726
   69    68 S   O    _O27    71     1.21452   124.26604  -117.14767
   70    67 S   CT   _C13    51     1.52719   123.37516     4.59615
   71    70 S   HC   _H38    52     1.09563   109.59439   138.30246
   72    70 S   HC   _H39    53     1.09504   109.46891  -103.67492
   73    67 S   CT   _C20    57     1.51005   124.57380  -176.17910
   74    73 S   HC   _H48    58     1.08519   108.75398   150.06389
   75    73 S   HC   _H49    59     1.08539   108.90747    30.97173
   76    68 S   OH   _O30    72     1.34695   109.36482    62.84087
   77    76 S   HO   _H53    73     0.98181   111.77240   179.96574
   78    70 S   S    _S34    54     1.82534   114.49277    19.09970
   79    73 S   S    _S37    60     1.80035   109.33599   -89.62865
   80    79 S   CRA  _C4_    61     1.76926   100.33564   180.00000
   81    80 S   N5B  _N18    62     1.31248   127.61739     0.00000
   82    81 S   N5B  _N19    63     1.37671   105.63606  -179.95577
   83    82 S   N5A  _N20    64     1.32669   111.05914    -0.03956
   84    80 S   NA   _N21    65     1.35866   123.82536  -179.97202
   85    84 S   CT   _C18    66     1.44065   129.92831    -0.09065
   86    85 S   HC   _H42    67     1.09315   107.97093    90.00474
   87    85 S   HC   _H43    68     1.09298   109.45125  -149.70563
   88    85 S   HC   _H44    69     1.09321   109.26963   -30.22038
  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  10   6   3   7   4   4   2   7   3   2
   1   1   1   1  10   4  13  10   4  11   5   6   8   3   2   1
   1  13  12   5   2   7   3   2   7   3   2   1   1   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    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    38    46    39    42    43    48    44    45    51  
   35    36  
   36  
    0  
   40    41    38    46    47    53    39    42    44  
   46    47    53    39    42    44    40    41  
   42    43    48    49    50    44    45    51    52    40  
   41    46    47    53    54    55  
   46    47    53  
   43    48    49    50    44    45    51  
   48    49    50    44  
   45    51    52    48  
   51    52  
   47    53    54    55    56    58    60  
   53    54    55  
   49    50  
   50  
    0  
   52  
    0  
   54    55    56    57    61    78    58    59    60    62  
   55    56    58    60  
   56    57    61    66    70    78    58    59    60    62    63    64    65  
   57    61    66    67    78    58    59    68    60    62  
   61    66    58    60  
   59    68    60    62    61    66    67    70    71    72    78  
   60    61    66    70    78  
   62    63    64    65    61    78  
   66    67    70    78    73    68    69    76  
   63    64    65  
   64    65  
   65  
    0  
   67    70    71    72    78    73    74    75    79    68    69    76    77  
   70    71    72    78    73    74    75    79    80    68    69    76  
   69    76    77    70    73  
   76    77  
   71    72    78    73    74    75    79  
   72    78    73  
   78    73  
   74    75    79    80    81    84    78  
   75    79    80  
   79    80  
   77  
    0  
    0  
   80    81    82    83    84    85  
   81    82    83    84    85    86    87    88  
   82    83    84    85  
   83    84    85  
   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  -0.324000   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  -0.601200   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   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.2500   0.1700  -1.229900   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   51   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   55   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   56   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.440000   1.9750   1.7500   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   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   79   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   80   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   81   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   82   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   83   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   84   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   85   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   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    46   317.000  1.522
   46    47   570.000  1.229
   46    53   490.000  1.335
   53    54   434.000  1.010
   53    55   337.000  1.449
   55    56   250.000  1.540
   55    58   268.000  1.529
   55    60   320.000  1.410
   56    57   930.000  1.212
   56    61   440.000  1.369
   61    66   400.000  1.384
   61    58   305.000  1.456
   66    67   549.000  1.340
   66    68   410.000  1.444
   67    70   317.000  1.510
   67    73   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   222.000  1.810
   78    58   200.000  1.824
   58    59   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   222.000  1.810
   79    80   245.000  1.755
   80    81   488.000  1.335
   80    84   477.000  1.343
   81    82   290.000  1.379
   82    83   420.000  1.291
   83    84   400.000  1.349
   84    85   320.000  1.443
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   68    69   570.000  1.229
   68    76   450.000  1.364
   76    77   553.000  0.945
   60    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   39    42   465.000  1.376
   39    44   410.000  1.444
   42    43   745.000  1.250
   42    48   415.000  1.382
   48    49   434.000  1.010
   48    50   434.000  1.010
   44    45   570.000  1.229
   44    51   450.000  1.364
   51    52   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    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    44    70.00000  119.70000
   37    40    41    45.00000  109.41400
   37    40    38    65.00000   91.00000
   37    40    46    70.00000  112.33000
   40    46    47    80.00000  120.40000
   40    46    53    70.00000  116.60000
   38    33    37    65.00000   91.00000
   38    40    41    45.00000  109.41400
   46    40    41    35.00000  109.50000
   46    40    38    70.00000  112.33000
   46    53    54    35.00000  119.80000
   46    53    55    50.00000  121.90000
   53    46    47    80.00000  122.90000
   53    55    56    75.00000  110.24000
   53    55    58    80.00000  110.05700
   53    55    60    95.00000  111.00000
   55    53    54    38.00000  118.40000
   55    56    57    60.00000  136.58000
   55    56    61    95.00000   92.72400
   55    58    61   105.00000   87.49700
   55    58    78    65.00000  119.05700
   55    58    59    37.50000  110.70000
   55    60    62    60.00000  109.50000
   56    61    66    50.00000  132.10000
   56    61    58   100.00000   93.00000
   61    56    57    75.00000  131.60000
   61    66    67    75.00000  120.83300
   61    66    68    70.00000  117.92000
   61    58    78    80.00000  108.62000
   61    58    59    50.00000  112.01000
   66    67    70    70.00000  124.00000
   66    67    73    70.00000  124.00000
   66    68    69    80.00000  125.30000
   66    68    76    90.00000  111.55000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    78    75.00000  112.20000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    79    75.00000  112.20000
   70    78    58    85.00000   99.86700
   72    70    71    33.00000  107.80000
   78    70    71    35.00000  109.50000
   78    70    72    35.00000  109.50000
   78    58    59    45.00000  109.41400
   58    55    56   100.00000   86.36000
   58    61    66    50.00000  132.70000
   73    67    70    65.00000  117.92700
   73    79    80    85.00000   97.05500
   75    73    74    33.00000  107.80000
   79    73    74    35.00000  109.50000
   79    73    75    35.00000  109.50000
   79    80    81    70.00000  126.12900
   79    80    84    70.00000  123.45500
   80    81    82   100.00000  108.10500
   80    84    83    95.00000  110.06400
   80    84    85    60.00000  127.66100
   81    82    83   100.00000  111.97400
   82    83    84   110.00000  106.81600
   83    84    85    75.00000  118.68000
   84    80    81    70.00000  120.00000
   84    85    86    50.00000  108.61900
   84    85    87    50.00000  108.61900
   84    85    88    50.00000  108.61900
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   68    66    67    70.00000  118.70000
   68    76    77    35.00000  113.00000
   76    68    69   100.00000  123.32000
   60    55    56    90.00000  108.55600
   60    55    58    50.00000  109.50000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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    48    75.00000  114.40000
   39    44    45    80.00000  125.30000
   39    44    51    90.00000  111.55000
   42    48    49    50.00000  121.48000
   42    48    50    50.00000  121.48000
   48    42    43   105.00000  113.92000
   50    48    49    35.00000  109.00000
   44    39    42    60.00000  120.04000
   44    51    52    35.00000  113.00000
   51    44    45   100.00000  123.32000
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    44   0.09700  1.0 1.0
   29    33    39    44   0.15600 -1.0 2.0
   29    33    39    44  -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    46   0.01700  1.0 1.0
   33    37    40    46  -0.23550 -1.0 2.0
   33    37    40    46   0.21350  1.0 3.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    48   7.00000 -1.0 2.0
   33    39    44    45  -0.64400  1.0 1.0
   33    39    44    45   0.26850 -1.0 2.0
   33    39    44    51  -0.23000  1.0 1.0
   33    39    44    51   0.83800 -1.0 2.0
   33    39    44    51   0.07650  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    44   0.09700  1.0 1.0
   37    33    39    44   0.15600 -1.0 2.0
   37    33    39    44  -0.50800  1.0 3.0
   37    40   -38    33   0.00000  1.0 1.0
   37    40    46    47   0.30150 -1.0 2.0
   37    40    46    53   0.00000  1.0 1.0
   40    46    53    54   2.45000 -1.0 2.0
   40    46    53    55   1.49850  1.0 1.0
   40    46    53    55   1.53950 -1.0 2.0
   41    40   -38    33   0.00000  1.0 1.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    53   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    44   0.09700  1.0 1.0
   38    33    39    44   0.15600 -1.0 2.0
   38    33    39    44  -0.50800  1.0 3.0
   38    40    46    47   0.30150 -1.0 2.0
   38    40    46    53   0.00000  1.0 1.0
   46    40   -38    33   0.01700  1.0 1.0
   46    40   -38    33  -0.23550 -1.0 2.0
   46    40   -38    33   0.21350  1.0 3.0
   46    53    55    56  -0.42300  1.0 1.0
   46    53    55    56  -0.07000 -1.0 2.0
   46    53    55    56   0.04150  1.0 3.0
   46    53    55    58  -0.43950  1.0 1.0
   46    53    55    58  -0.08100 -1.0 2.0
   46    53    55    58   0.03350  1.0 3.0
   46    53    55    60  -2.75650  1.0 1.0
   46    53    55    60  -1.18150 -1.0 2.0
   46    53    55    60   0.81900  1.0 3.0
   47    46    53    54   2.45000 -1.0 2.0
   47    46    53    55   3.04450 -1.0 2.0
   53    55    56    57   0.30150 -1.0 2.0
   53    55    56    61   0.00000  1.0 1.0
   53    55   -58    61   2.20050  1.0 1.0
   53    55   -58    61   0.63450 -1.0 2.0
   53    55   -58    61  -0.91300  1.0 3.0
   53    55    58    78   0.00000  1.0 1.0
   53    55    58    59   0.15000  1.0 3.0
   53    55    60    62  -2.37750  1.0 1.0
   53    55    60    62  -0.08150 -1.0 2.0
   53    55    60    62   0.59000  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    58   0.00000  1.0 1.0
   54    53    55    60   0.00000  1.0 1.0
   55    56    61    66   3.00000 -1.0 2.0
   55    56   -61    58   3.00000 -1.0 2.0
   55    60    62    63   0.37050  1.0 3.0
   55    60    62    64   0.37050  1.0 3.0
   55    60    62    65   0.37050  1.0 3.0
   56    55   -58    61   3.00000 -1.0 2.0
   56    55    58    78   0.00000  1.0 1.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    60    62  -1.11000  1.0 1.0
   56    55    60    62   0.50250 -1.0 2.0
   56    55    60    62   0.47450  1.0 3.0
   56    61    66    67   0.00000  1.0 1.0
   56    61    66    68   0.00000  1.0 1.0
   56    61   -58    55   0.00000  1.0 1.0
   56    61   -58    78   0.00000  1.0 1.0
   56    61   -58    59   0.00000  1.0 1.0
   57    56    61    66   3.00000 -1.0 2.0
   57    56    61    58   3.00000 -1.0 2.0
   61    66    67    70   7.00000 -1.0 2.0
   61    66    67    73   7.00000 -1.0 2.0
   61    66    68    69  -0.52200  1.0 1.0
   61    66    68    69   0.82950 -1.0 2.0
   61    66    68    76   1.50000 -1.0 2.0
   66    61   -58    55   0.00000  1.0 1.0
   66    61    58    78   0.00000  1.0 1.0
   66    61    58    59   0.00000  1.0 1.0
   66    67    70    71   0.00000  1.0 1.0
   66    67    70    72   0.00000  1.0 1.0
   66    67   -70    78   0.42700  1.0 1.0
   66    67   -70    78  -0.70350 -1.0 2.0
   66    67   -70    78  -0.43150  1.0 3.0
   66    67    73    74   0.00000  1.0 1.0
   66    67    73    75   0.00000  1.0 1.0
   66    67    73    79   0.42700  1.0 1.0
   66    67    73    79  -0.70350 -1.0 2.0
   66    67    73    79  -0.43150  1.0 3.0
   66    68    76    77   1.22000  1.0 1.0
   66    68    76    77   0.17300 -1.0 2.0
   67    66    68    69   1.00000 -1.0 2.0
   67    66    68    76  -0.01000  1.0 1.0
   67    66    68    76   1.29850 -1.0 2.0
   67    66    68    76  -0.09550  1.0 3.0
   67    70    78    58  -0.70200  1.0 1.0
   67    70    78    58  -0.14350 -1.0 2.0
   67    70    78    58   0.55200  1.0 3.0
   67    73    79    80   0.00000  1.0 1.0
   70    67    73    74   0.34800  1.0 3.0
   70    67    73    75   0.34800  1.0 3.0
   70    67    73    79   0.30250  1.0 1.0
   70    67    73    79  -0.14950 -1.0 2.0
   70    67    73    79   0.36900  1.0 3.0
   70    78    58    55   0.25150  1.0 1.0
   70    78    58    55  -1.17200 -1.0 2.0
   70    78    58    55   0.53050  1.0 3.0
   70    78   -58    61   0.01700  1.0 1.0
   70    78   -58    61  -0.23550 -1.0 2.0
   70    78   -58    61   0.21350  1.0 3.0
   70    78    58    59   0.00000  1.0 1.0
   71    70    78    58   0.32350  1.0 3.0
   72    70    78    58   0.32350  1.0 3.0
   58    55   -56    57  -0.11250  1.0 1.0
   58    55   -56    57   0.11400 -1.0 2.0
   58    55   -56    57  -0.28950  1.0 3.0
   58    55   -56    61   3.00000 -1.0 2.0
   58    55    60    62   0.06250  1.0 1.0
   58    55    60    62  -0.01100 -1.0 2.0
   58    55    60    62   0.28050  1.0 3.0
   58    61   -66    67   0.00000  1.0 1.0
   58    61    66    68   0.00000  1.0 1.0
   73    67    70    71   0.34800  1.0 3.0
   73    67    70    72   0.34800  1.0 3.0
   73    67    70    78   0.30250  1.0 1.0
   73    67    70    78  -0.14950 -1.0 2.0
   73    67    70    78   0.36900  1.0 3.0
   73    79    80    81   0.63150 -1.0 2.0
   73    79    80    84   0.63150 -1.0 2.0
   74    73    79    80   0.24000  1.0 3.0
   75    73    79    80   0.24000  1.0 3.0
   79    80    81    82   3.62500 -1.0 2.0
   79    80    84    83   3.62500 -1.0 2.0
   79    80    84    85   3.62500 -1.0 2.0
   80    81   -82    83   3.62500 -1.0 2.0
   80    84    85    86   0.00000  1.0 1.0
   80    84    85    87   0.00000  1.0 1.0
   80    84    85    88   0.00000  1.0 1.0
   81    80   -84    83   3.62500 -1.0 2.0
   81    80    84    85   3.62500 -1.0 2.0
   81    82   -83    84   3.62500 -1.0 2.0
   82    83   -84    80   3.62500 -1.0 2.0
   82    83    84    85   3.62500 -1.0 2.0
   83    84    85    86   0.00000  1.0 1.0
   83    84    85    87   0.00000  1.0 1.0
   83    84    85    88   0.00000  1.0 1.0
   84    80   -81    82   3.62500 -1.0 2.0
   68    66    67    70   7.00000 -1.0 2.0
   68    66    67    73   7.00000 -1.0 2.0
   69    68    76    77   0.92200  1.0 1.0
   69    68    76    77   3.74100 -1.0 2.0
   60    55    56    57   0.30150 -1.0 2.0
   60    55    56    61   0.00000  1.0 1.0
   60    55   -58    61   1.12100  1.0 1.0
   60    55   -58    61  -0.16500 -1.0 2.0
   60    55    58    78   0.00000  1.0 1.0
   60    55    58    59   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    42    48    49   1.00000 -1.0 2.0
   39    42    48    50   1.00000 -1.0 2.0
   39    44    51    52   1.22000  1.0 1.0
   39    44    51    52   0.17300 -1.0 2.0
   42    39    44    45   1.00000 -1.0 2.0
   42    39    44    51  -0.01000  1.0 1.0
   42    39    44    51   1.29850 -1.0 2.0
   42    39    44    51  -0.09550  1.0 3.0
   43    42    48    49   1.00000 -1.0 2.0
   43    42    48    50   1.00000 -1.0 2.0
   44    39    42    43   7.00000 -1.0 2.0
   44    39    42    48   7.00000 -1.0 2.0
   45    44    51    52   0.92200  1.0 1.0
   45    44    51    52   3.74100 -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    53    46    47  10.50000 -1.0 2.0
   54    46    53    55   1.00000 -1.0 2.0
   55    61    56    57  10.50000 -1.0 2.0
   58    56    61    66   1.00000 -1.0 2.0
   61    68    66    67   1.10000 -1.0 2.0
   70    73    67    66   1.10000 -1.0 2.0
   81    84    80    79   4.00000 -1.0 2.0
   83    85    84    80   4.00000 -1.0 2.0
   66    76    68    69  10.50000 -1.0 2.0
   33    44    39    42  15.00000 -1.0 2.0
   48    43    42    39  15.00000 -1.0 2.0
   50    42    48    49   1.00000 -1.0 2.0
   39    51    44    45  10.50000 -1.0 2.0
END
