* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    162    231     468
    1     0 S   NP   _N1_     1    28.89488    93.86725   -24.44183
    2     1 S   H    _HN1     2     1.02783   108.08178   -92.01051
    3     1 S   H    _H1_     3     1.02944    85.59568    15.88922
    4     1 S   H    _H2_     4     1.02832    23.04199   174.71372
    5     1 S   CT   _CA1     5     1.50120   128.03326   128.48682
    6     5 S   HC   _HA1     6     1.09560   105.23185    76.84758
    7     5 S   CO3  _C1_     7     1.53828   112.40031   -43.55797
    8     7 S   O2Z  _O11     8     1.26396   114.98443   -41.63415
    9     7 S   O2Z  _O12     9     1.26224   114.96434   137.51108
   10     5 S   CT   _CB1    10     1.53070   107.45404  -164.95480
   11    10 S   HC   HB11    11     1.09831   109.60727   -47.51050
   12    10 S   HC   HB12    12     1.09829   110.31286    69.13861
   13    10 S   CT   _CG1    13     1.53041   112.61763  -168.41430
   14    13 S   HC   HG11    14     1.09578   110.62576   -62.21045
   15    13 S   HC   HG12    15     1.09648   109.89629    57.11317
   16    13 S   C    _CD1    16     1.51771   112.09944   177.72411
   17    16 S   O    _OE1    17     1.22767   123.17175     5.13748
   18    16 S   N    _N2_    18     1.38707   111.82225  -175.59940
   19    18 S   H    _HN2    19     1.01586   119.15831     2.55574
   20    18 S   CT1  _CA2    20     1.46190   123.04990  -178.80564
   21    20 S   HC   _HA2    21     1.09745   109.11587    -4.90580
   22    20 S   C    _C2_    22     1.53375   108.93939  -120.47856
   23    22 S   O    _O2_    23     1.23049   122.23521  -149.47812
   24    20 S   CT   _CB2    32     1.53490   111.99201   116.53988
   25    24 S   HC   HB21    33     1.09583   110.37747    62.06118
   26    24 S   HC   HB22    34     1.09472   109.71177  -179.09518
   27    22 S   N    _N3_    24     1.38323   113.60170    38.01452
   28    27 S   H    _HN3    25     1.01630   119.50045    -3.66378
   29    24 S   S    _SG2    35     1.82525   111.54649   -58.26236
   30    27 S   CT   _CA3    26     1.45288   123.15194   176.93350
   31    30 S   HC   HA31    27     1.09552   107.53469   -63.61896
   32    30 S   HC   HA32    28     1.09558   107.93742    52.78734
   33    29 S   CT   _C7_    36     1.83913    99.93640  -169.63984
   34    33 S   HC   _H5_    37     1.09737   107.88044   -34.63893
   35    30 S   CO3  _C3_    29     1.52941   114.13303   174.76625
   36    35 S   O2Z  _O31    30     1.26368   116.06333    -0.71409
   37    35 S   O2Z  _O32    31     1.26430   114.41125   179.34628
   38    33 S   CT   _C6_    38     1.54151   111.57769    84.06371
   39    38 S   HC   _H4_    39     1.09503   109.32343   -63.01561
   40    38 S   CT   _C5_    40     1.54022   109.69165   175.86242
   41    40 S   HC   _H3_    41     1.09790   110.37629  -173.01281
   42    38 S   OH   _O45    86     1.42982   111.18989    55.33434
   43    42 S   HO   _H25    87     0.97292   107.26173  -177.15132
   44    40 S   CT   _C9_    42     1.53654   109.52267   -53.24941
   45    44 S   HC   _H7_    43     1.09846   109.60129   -61.59204
   46    40 S   OS   _O33    81     1.43469   109.45007    65.38936
   47    44 S   OS   _O34    44     1.43688   110.50495    57.96323
   48    44 S   CO3  _C10    78     1.54194   115.17183  -179.14088
   49    48 S   O2Z  _O36    79     1.26356   116.07815    16.99673
   50    48 S   O2Z  _O35    80     1.26539   115.11561  -165.44733
   51    46 S   CT   _C4_    82     1.42085   113.15589    86.47537
   52    51 S   HC   _H13    83     1.09335   108.19461   179.74589
   53    51 S   HC   _H14    84     1.09418   110.42878    61.23436
   54    51 S   HC   _H15    85     1.09308   111.16989   -61.33705
   55    33 S   CO   _C8_    45     1.54306   110.22239  -151.18317
   56    55 S   HC   _H6_    46     1.09561   108.31682    65.76231
   57    55 S   OS   _O37    47     1.42823   110.21562   -54.55617
   58    57 S   CT   _C11    48     1.43567   115.09583   160.09315
   59    58 S   HC   _H8_    49     1.09667   109.72418    37.42153
   60    58 S   CT   _C15    50     1.53785   105.28639   155.45498
   61    60 S   HC   _H12    51     1.09760   109.21758   -49.92594
   62    60 S   CT   _C14    52     1.53292   111.93516    71.63846
   63    62 S   HC   _H11    53     1.09570   111.61950   171.87713
   64    60 S   OH   _O39    76     1.42459   109.50198  -166.79607
   65    64 S   HO   _H16    77     0.97266   108.03022   169.33799
   66    62 S   CO   _C13    54     1.53538   111.66983    48.45767
   67    66 S   HC   _H10    55     1.09611   109.44398    67.41795
   68    62 S   NP   _N4_    72     1.49844   109.34341   -71.80830
   69    68 S   H    _H17    73     1.02792   112.08074   -64.20828
   70    68 S   H    _H18    74     1.02900   110.93523   174.93403
   71    68 S   H    _H19    75     1.03236   111.19894    55.69558
   72    66 S   OS   _O38    56     1.42762   110.51573   -53.70514
   73    66 S   OS   _O40    67     1.43575   107.72466  -175.88667
   74    58 S   CT   _C12    57     1.54720   108.92414   -84.20932
   75    74 S   HC   _H9_    58     1.09543   107.99789    47.98187
   76    73 S   CT   _C16    68     1.42264   112.20977  -173.98937
   77    76 S   HC   _H20    69     1.09330   108.25066   177.79451
   78    76 S   HC   _H21    70     1.09411   110.63784    58.90155
   79    76 S   HC   _H22    71     1.09366   110.60453   -63.57901
   80    74 S   CT   _C17    59     1.53229   114.91207   166.27900
   81    80 S   HC   _H23    60     1.09637   109.24775   179.62570
   82    80 S   HC   _H24    61     1.09279   112.17096    61.33121
   83    80 S   OS   _O41    62     1.42297   109.37418   -60.64889
   84    83 S   SY   _S1_    63     1.63977   119.32063   176.28095
   85    84 S   OY   _O44    64     1.46178   104.26853   -63.36394
   86    84 S   OY   _O42    65     1.46151   103.49140   176.88071
   87    84 S   OY   _O43    66     1.46171   104.40943    57.10738
  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  10   6   6   7   3
   1   1   3   2   1   1   6   2  10  16   8  16   7  13   9   4
   1  14   5   5   2   1   1   8   5   6   4   3   2   1   1   7
   3   2   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    55    56    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    55    56    57    58    46    42    43  
   38    39    40    47    55    56    57    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    55    56    57    48    46    51    42    43  
   40    41    44    55    46    42    43  
   41    44    45    47    55    48    49    50    46    51    52    53    54    42    43  
   44    45    47    48    46    51    42  
   43    44    46    55  
    0  
   45    47    55    56    57    48    49    50    46    51  
   47    55    48    49    50    46  
   51    52    53    54    47    48  
   55    56    57    58    48    49    50  
   49    50    55  
   50  
    0  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    74  
   57    58  
   58    59    60    61    62    72    74    75    80    64  
   59    60    61    62    63    66    72    74    75    80    81    82    83    68    64    65  
   60    61    62    72    74    75    80    64  
   61    62    63    66    67    72    74    75    80    73    68    69    70    71    64    65  
   62    63    66    74    68    64    65  
   63    66    67    72    74    73    76    68    69    70    71    64    65  
   66    67    72    73    68    69    70    71    64  
   65    66    68    74  
    0  
   67    72    74    75    80    73    76    77    78    79    68    69    70    71  
   72    74    73    76    68  
   69    70    71    72    73  
   70    71  
   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  
   85    86    87  
   86    87  
   87  
    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   1.3810   1.2100   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   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   69   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.330000   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  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   85   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   86   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   87   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
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    55   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    55   320.000  1.380
   55    56   340.000  1.090
   55    57   320.000  1.380
   57    58   320.000  1.410
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    74   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    66   250.000  1.527
   62    68   367.000  1.471
   66    67   340.000  1.090
   66    72   320.000  1.380
   66    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   735.000  1.471
   73    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   68    69   434.000  1.010
   68    70   434.000  1.010
   68    71   434.000  1.010
   64    65   553.000  0.945
   48    49   656.000  1.250
   48    50   656.000  1.250
   46    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    55    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    55    47    90.00000  108.56700
   33    55    56    45.00000  112.01100
   33    55    57    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    70.00000  109.69300
   40    46    51    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    47    55    60.00000  109.50000
   44    48    49    70.00000  117.00000
   44    48    50    70.00000  117.00000
   47    44    45    35.00000  109.50000
   47    55    56    35.00000  109.50000
   47    55    57    92.60000  111.55000
   55    33    34    45.00000  108.72000
   55    33    38    75.00000  109.43000
   55    57    58    60.00000  109.50000
   57    55    56    35.00000  109.50000
   57    58    59    35.00000  109.50000
   57    58    60    50.00000  109.50000
   57    58    74    50.00000  109.50000
   58    60    61    37.50000  110.70000
   58    60    62    58.35000  112.70000
   58    60    64    50.00000  109.50000
   58    74    72    50.00000  109.50000
   58    74    75    37.50000  110.70000
   58    74    80    58.35000  112.70000
   60    58    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    66    75.00000  109.43000
   60    62    68    80.00000  111.20000
   60    64    65    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    66    67    45.00000  112.01100
   62    66    72    90.00000  108.56700
   62    66    73    90.00000  108.56700
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    71    35.00000  109.50000
   66    62    63    45.00000  108.72000
   66    72    74    60.00000  109.50000
   66    73    76    60.00000  109.50000
   72    66    67    35.00000  109.50000
   72    74    75    35.00000  109.50000
   72    74    80    50.00000  109.50000
   74    58    59    37.50000  110.70000
   74    58    60    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  106.70400
   86    84    85   115.00000  120.17200
   87    84    85   115.00000  120.17200
   87    84    86   115.00000  120.17200
   73    66    67    35.00000  109.50000
   73    66    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
   68    62    63    35.00000  109.50000
   68    62    66    80.00000  111.20000
   70    68    69    35.00000  109.50000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    44    47    85.00000  109.63000
   50    48    49    80.00000  126.00000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    55    47   0.56750  1.0 1.0
   29    33    55    47  -0.07550 -1.0 2.0
   29    33    55    47   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.56750  1.0 1.0
   29    33    55    57  -0.07550 -1.0 2.0
   29    33    55    57   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    55    57    58   0.06250  1.0 1.0
   33    55    57    58  -0.01100 -1.0 2.0
   33    55    57    58   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    55    47   0.23400  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    57   0.23400  1.0 3.0
   38    33    55    47   0.62750  1.0 1.0
   38    33    55    47  -0.30950 -1.0 2.0
   38    33    55    47   0.27300  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.62750  1.0 1.0
   38    33    55    57  -0.30950 -1.0 2.0
   38    33    55    57   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  -1.63150  1.0 1.0
   38    40    44    48  -0.43550 -1.0 2.0
   38    40    44    48   0.24500  1.0 3.0
   38    40    46    51   0.06250  1.0 1.0
   38    40    46    51  -0.01100 -1.0 2.0
   38    40    46    51   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    55   0.06250  1.0 1.0
   40    44    47    55  -0.01100 -1.0 2.0
   40    44    47    55   0.28050  1.0 3.0
   40    44    48    49   0.41150 -1.0 2.0
   40    44    48    50   0.41150 -1.0 2.0
   40    46    51    52   0.37050  1.0 3.0
   40    46    51    53   0.37050  1.0 3.0
   40    46    51    54   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    51   0.37050  1.0 3.0
   44    40    46    51   0.06250  1.0 1.0
   44    40    46    51  -0.01100 -1.0 2.0
   44    40    46    51   0.28050  1.0 3.0
   44    47   -55    33   0.06250  1.0 1.0
   44    47   -55    33  -0.01100 -1.0 2.0
   44    47   -55    33   0.28050  1.0 3.0
   44    47    55    56   0.37050  1.0 3.0
   44    47    55    57  -0.81800  1.0 1.0
   45    44    47    55   0.37050  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   47    44    48    49   0.30150 -1.0 2.0
   47    44    48    50   0.30150 -1.0 2.0
   47    55    57    58  -0.53350  1.0 1.0
   47    55    57    58  -0.78350 -1.0 2.0
   47    55    57    58   0.33750  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   3.97050  1.0 1.0
   55    33    38    42   0.86500  1.0 1.0
   55    33    38    42  -0.17500 -1.0 2.0
   55    33    38    42   0.20800  1.0 3.0
   55    57    58    59   0.37050  1.0 3.0
   55    57    58    60   0.06250  1.0 1.0
   55    57    58    60  -0.01100 -1.0 2.0
   55    57    58    60   0.28050  1.0 3.0
   55    57    58    74   0.06250  1.0 1.0
   55    57    58    74  -0.01100 -1.0 2.0
   55    57    58    74   0.28050  1.0 3.0
   56    55    57    58   0.37050  1.0 3.0
   57    58    60    61   0.23400  1.0 3.0
   57    58    60    62   0.62750  1.0 1.0
   57    58    60    62  -0.30950 -1.0 2.0
   57    58    60    62   0.27300  1.0 3.0
   57    58    60    64   3.69350  1.0 1.0
   57    58    60    64  -1.82950 -1.0 2.0
   57    58    74    72   1.11900  1.0 1.0
   57    58    74    72  -1.16350 -1.0 2.0
   57    58    74    72  -0.34150  1.0 3.0
   57    58    74    75   0.23400  1.0 3.0
   57    58    74    80   0.62750  1.0 1.0
   57    58    74    80  -0.30950 -1.0 2.0
   57    58    74    80   0.27300  1.0 3.0
   58    60    62    63   0.15000  1.0 3.0
   58    60    62    66   3.97050  1.0 1.0
   58    60    62    68   1.36600  1.0 1.0
   58    60    62    68  -0.11450 -1.0 2.0
   58    60    62    68   0.24250  1.0 3.0
   58    60    64    65  -0.11600  1.0 1.0
   58    60    64    65  -0.09450 -1.0 2.0
   58    60    64    65   0.21250  1.0 3.0
   58    74    80    81   0.15000  1.0 3.0
   58    74    80    82   0.15000  1.0 3.0
   58    74    80    83   0.62750  1.0 1.0
   58    74    80    83  -0.30950 -1.0 2.0
   58    74    80    83   0.27300  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    64   0.23400  1.0 3.0
   59    58    74    72   0.23400  1.0 3.0
   59    58    74    75   0.15000  1.0 3.0
   59    58    74    80   0.15000  1.0 3.0
   60    58    74    72   0.62750  1.0 1.0
   60    58    74    72  -0.30950 -1.0 2.0
   60    58    74    72   0.27300  1.0 3.0
   60    58    74    75   0.15000  1.0 3.0
   60    58    74    80   0.56750  1.0 1.0
   60    58    74    80  -0.07550 -1.0 2.0
   60    58    74    80   0.20000  1.0 3.0
   60    62    66    67   0.15000  1.0 3.0
   60    62   -66    72   0.62750  1.0 1.0
   60    62   -66    72  -0.30950 -1.0 2.0
   60    62   -66    72   0.27300  1.0 3.0
   60    62    66    73   0.62750  1.0 1.0
   60    62    66    73  -0.30950 -1.0 2.0
   60    62    66    73   0.27300  1.0 3.0
   60    62    68    69   0.17350  1.0 3.0
   60    62    68    70   0.17350  1.0 3.0
   60    62    68    71   0.17350  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    62    68   0.19200  1.0 3.0
   61    60    64    65   0.19450  1.0 3.0
   62    60    64    65  -0.11600  1.0 1.0
   62    60    64    65  -0.09450 -1.0 2.0
   62    60    64    65   0.21250  1.0 3.0
   62    66    72    74   0.06250  1.0 1.0
   62    66    72    74  -0.01100 -1.0 2.0
   62    66    72    74   0.28050  1.0 3.0
   62    66    73    76   0.06250  1.0 1.0
   62    66    73    76  -0.01100 -1.0 2.0
   62    66    73    76   0.28050  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    72   0.23400  1.0 3.0
   63    62    66    73   0.23400  1.0 3.0
   63    62    68    69   0.13050  1.0 3.0
   63    62    68    70   0.13050  1.0 3.0
   63    62    68    71   0.13050  1.0 3.0
   66    62    68    69   0.17350  1.0 3.0
   66    62    68    70   0.17350  1.0 3.0
   66    62    68    71   0.17350  1.0 3.0
   66    72   -74    58   0.06250  1.0 1.0
   66    72   -74    58  -0.01100 -1.0 2.0
   66    72   -74    58   0.28050  1.0 3.0
   66    72    74    75   0.37050  1.0 3.0
   66    72    74    80   0.06250  1.0 1.0
   66    72    74    80  -0.01100 -1.0 2.0
   66    72    74    80   0.28050  1.0 3.0
   66    73    76    77   0.37050  1.0 3.0
   66    73    76    78   0.37050  1.0 3.0
   66    73    76    79   0.37050  1.0 3.0
   67    66    72    74   0.37050  1.0 3.0
   67    66    73    76   0.37050  1.0 3.0
   72    66    73    76  -0.53350  1.0 1.0
   72    66    73    76  -0.78350 -1.0 2.0
   72    66    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    58    60    61   0.15000  1.0 3.0
   74    58   -60    62   0.56750  1.0 1.0
   74    58   -60    62  -0.07550 -1.0 2.0
   74    58   -60    62   0.20000  1.0 3.0
   74    58    60    64   0.86500  1.0 1.0
   74    58    60    64  -0.17500 -1.0 2.0
   74    58    60    64   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   0.29800  1.0 3.0
   81    80    83    84   0.00000  1.0 1.0
   82    80    83    84   0.00000  1.0 1.0
   73    66    72    74  -0.81800  1.0 1.0
   68    62    66    67   0.19200  1.0 3.0
   68    62    66    72   1.69300  1.0 1.0
   68    62    66    72  -0.48450 -1.0 2.0
   68    62    66    73   1.69300  1.0 1.0
   68    62    66    73  -0.48450 -1.0 2.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    66   0.86500  1.0 1.0
   64    60    62    66  -0.17500 -1.0 2.0
   64    60    62    66   0.20800  1.0 3.0
   64    60    62    68   1.69300  1.0 1.0
   64    60    62    68  -0.48450 -1.0 2.0
   48    44    47    55  -1.11000  1.0 1.0
   48    44    47    55   0.50250 -1.0 2.0
   48    44    47    55   0.47450  1.0 3.0
   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  -3.35100  1.0 1.0
   46    40    44    48  -0.37050 -1.0 2.0
   46    40    44    48   0.22400  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
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   49    44    48    50  10.50000 -1.0 2.0
END
