* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    164    250     484
    1     0 S   NP   _N1_     1    28.83533    94.55654   -25.15913
    2     1 S   H    _HN1     2     1.02949    79.38211    17.80834
    3     1 S   H    _H1_     3     1.02828    28.13190  -172.33277
    4     1 S   H    _H2_     4     1.02787   113.25092   -87.75648
    5     1 S   CT   _CA1     5     1.50111   126.91740   125.43590
    6     5 S   HC   _HA1     6     1.09573   105.19379    85.74243
    7     5 S   CO3  _C1_     7     1.53783   112.46821   -34.49669
    8     7 S   O2Z  _O11     8     1.26372   115.00816   -42.53220
    9     7 S   O2Z  _O12     9     1.26239   114.94385   136.59825
   10     5 S   CT   _CB1    10     1.53075   107.42050  -156.27197
   11    10 S   HC   HB11    11     1.09834   109.36692   -49.69154
   12    10 S   HC   HB12    12     1.09813   110.45033    66.91326
   13    10 S   CT   _CG1    13     1.52993   112.61224  -170.66544
   14    13 S   HC   HG11    14     1.09581   110.64573   -65.84025
   15    13 S   HC   HG12    15     1.09669   109.77890    53.39995
   16    13 S   C    _CD1    16     1.51797   112.19214   173.86084
   17    16 S   O    _OE1    17     1.22733   123.27292     7.63168
   18    16 S   N    _N2_    18     1.38648   111.69291  -172.49883
   19    18 S   H    _HN2    19     1.01578   118.94754     1.64711
   20    18 S   CT1  _CA2    20     1.46212   123.37033   177.34701
   21    20 S   HC   _HA2    21     1.09741   109.40688     2.64412
   22    20 S   C    _C2_    22     1.53559   108.45907  -112.80729
   23    22 S   O    _O2_    23     1.23049   122.31949  -146.92897
   24    20 S   CT   _CB2    32     1.53511   111.60844   124.73110
   25    24 S   HC   HB21    33     1.09326   109.47434    57.07770
   26    24 S   HC   HB22    34     1.09393   109.37197   175.80185
   27    22 S   N    _N3_    24     1.38339   113.66361    40.44731
   28    27 S   H    _HN3    25     1.01583   119.59546    -3.21632
   29    24 S   S    _SG2    35     1.83057   110.94909   -64.85300
   30    27 S   CT   _CA3    26     1.45284   123.21134   177.18082
   31    30 S   HC   HA31    27     1.09549   107.50341   -64.80469
   32    30 S   HC   HA32    28     1.09557   107.99680    51.63775
   33    29 S   CT   _C18    36     1.90263   103.26944   171.22457
   34    30 S   CO3  _C3_    29     1.52960   114.07332   173.63844
   35    34 S   O2Z  _O31    30     1.26377   116.07203    -0.73355
   36    34 S   O2Z  _O32    31     1.26428   114.41266   179.33031
   37    33 S   CT   _C10    37     1.54368   110.01746    46.86066
   38    37 S   HC   _H28    38     1.09516   111.65660   -63.23483
   39    37 S   HC   _H29    39     1.09554   111.25343   178.41440
   40    33 S   CT   _C12    55     1.55124   103.17634   -71.72330
   41    40 S   HC   _H32    56     1.09595   110.83468    68.34471
   42    40 S   HC   _H33    57     1.09889   110.26542   -49.15793
   43    37 S   CO4  _C4_    40     1.51943   111.89067    58.87306
   44    43 S   O    _O21    41     1.23178   120.20661  -148.97061
   45    43 S   CT   _C14    42     1.53101   117.03090    30.28637
   46    45 S   HC   _H36    43     1.09513   107.02741   -89.41475
   47    45 S   CT   _C13    44     1.53304   109.96573    27.98941
   48    47 S   HC   _H34    45     1.09770   107.10672    67.37576
   49    47 S   HC   _H35    46     1.09834   109.20379  -179.04305
   50    45 S   CM   _C8_    80     1.52132   110.37682   153.18084
   51    33 S   CT   _C17    47     1.60671   112.47987   167.46848
   52    50 S   CM   _C5_    81     1.34387   120.82905   110.36066
   53    52 S   HC   _H25    82     1.08516   121.47144  -179.72446
   54    52 S   HC   _H26    83     1.08515   121.54540     0.14804
   55    50 S   CT   _C21    84     1.50491   118.77907   -69.05027
   56    55 S   HC   _H45    85     1.09425   110.67863   -69.23143
   57    55 S   HC   _H46    86     1.09432   110.89228    51.45346
   58    55 S   HC   _H47    87     1.09557   111.91128   171.09153
   59    51 S   CT   _C15    48     1.59437   110.86667   158.91366
   60    59 S   HC   _H37    49     1.10008   107.62234    68.63107
   61    51 S   CT   _C23    76     1.55244   111.64910    37.25317
   62    61 S   HC   _H51    77     1.09435   111.74270    54.90596
   63    61 S   HC   _H52    78     1.09471   111.93485   -66.82150
   64    61 S   HC   _H53    79     1.09437   112.08192   175.59451
   65    59 S   CT   _C16    50     1.53895   113.60600   -48.75692
   66    65 S   HC   _H38    51     1.09721   109.65693   -65.04006
   67    59 S   CT   _C22    72     1.54354   114.27522  -175.38107
   68    67 S   HC   _H48    73     1.09474   111.64864    75.77906
   69    67 S   HC   _H49    74     1.09338   112.19478   -46.12520
   70    67 S   HC   _H50    75     1.09573   110.57732  -165.06398
   71    65 S   CT   _C11    52     1.51991   110.02502    57.19998
   72    71 S   HC   _H30    53     1.09690   109.93156   178.82563
   73    71 S   HC   _H31    54     1.09709   110.42119    63.19257
   74    65 S   OS   _O23    58     1.44581   108.53469   175.29360
   75    74 S   CO4  _C9_    59     1.35904   117.35061   154.83461
   76    75 S   O    _O22    60     1.22118   126.85296     0.01978
   77    75 S   CM   _C7_    61     1.48511   108.61497  -179.40950
   78    77 S   CM   _C6_    62     1.34482   120.55168  -136.34996
   79    78 S   HC   _H27    63     1.08926   117.80417  -177.63976
   80    77 S   CT   _C20    68     1.50025   116.97244    46.01693
   81    80 S   HC   _H42    69     1.09482   110.67880   -71.03937
   82    80 S   HC   _H43    70     1.09518   110.43929    49.18870
   83    80 S   HC   _H44    71     1.09523   111.95850   168.82479
   84    78 S   CT   _C19    64     1.49583   128.24143     4.09491
   85    84 S   HC   _H39    65     1.09402   109.98220  -108.93237
   86    84 S   HC   _H40    66     1.09506   109.33809   132.54956
   87    84 S   HC   _H41    67     1.09246   113.50141    13.21352
  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  13   5   4   3
  24   2   1   1  15   6   5  13   6   5  10   4  15   7  14   5
   4   8  14   6   2   1   3   2   1   1  16   9   5   2   1   1
  12   6   5   2   1   1   4   2   1   5   9   3  10   9   5   4
   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    47    51    59    71    40    41    42    61  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    47    48    49    51    59    60    65    71    72    73    40    41    42    67    61    62    63    64  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    51    59    71    40    41    42    61    50  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    74    61    43    47    51    59    65    66    71    72    73  
   42    51    65    71    72    73  
   51    65    71    72    73  
   44    45    46    47    48    49    51    50    52    55  
   45    46    47    50  
   46    47    48    49    51    59    61    50    52    53    54    55    56    57    58  
   47    48    49    51    50    52    55  
   48    49    51    59    60    65    67    61    62    63    64    50    52    55  
   49    51    59    61    50  
   51    59    61    50  
   52    53    54    55    56    57    58    51  
   59    60    65    66    71    74    67    68    69    70    61    62    63    64  
   53    54    55    56    57    58  
   54    55  
   55  
   56    57    58  
   57    58  
   58  
    0  
   60    65    66    71    72    73    74    75    67    68    69    70    61    62    63    64  
   65    66    71    74    67    68    69    70    61  
   62    63    64    65    67  
   63    64  
   64  
    0  
   66    71    72    73    74    75    76    77    67    68    69    70  
   71    72    73    74    75    67  
   68    69    70    71    74  
   69    70  
   70  
    0  
   72    73    74    75  
   73    74  
   74  
   75    76    77    78    80  
   76    77    78    79    84    80    81    82    83  
   77    78    80  
   78    79    84    85    86    87    80    81    82    83  
   79    84    85    86    87    80    81    82    83  
   84    85    86    87    80  
   81    82    83    84  
   82    83  
   83  
    0  
   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   0.167500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   87   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   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    50   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    59   268.000  1.529
   51    61   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   50    52   549.000  1.340
   50    55   317.000  1.510
   52    53   340.000  1.080
   52    54   340.000  1.080
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    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    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    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    47    58.35000  112.70000
   33    51    59    58.35000  112.70000
   33    51    61    58.35000  112.70000
   33    40    71    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    63.00000  111.10000
   43    45    50    70.00000  109.06800
   45    43    44    80.00000  120.40000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    51    58.35000  112.70000
   45    50    52    70.00000  124.00000
   45    50    55    65.00000  117.92700
   47    45    46    37.50000  110.70000
   47    51    59    58.35000  112.70000
   47    51    61    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    65    58.35000  112.70000
   51    59    67    58.35000  112.70000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    64    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    71    58.35000  112.70000
   59    65    74    50.00000  109.50000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    70    37.50000  110.70000
   65    59    60    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    40    58.35000  112.70000
   65    74    75    83.00000  116.90000
   71    65    66    37.50000  110.70000
   71    40    41    37.50000  110.70000
   71    40    42    37.50000  110.70000
   73    71    72    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    71    72    37.50000  110.70000
   40    71    73    37.50000  110.70000
   42    40    41    33.00000  107.80000
   74    65    66    35.00000  109.50000
   74    65    71    50.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    80    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    84    70.00000  124.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   78    84    85    35.00000  109.50000
   78    84    86    35.00000  109.50000
   78    84    87    35.00000  109.50000
   84    78    79    35.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   80    77    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   67    59    60    37.50000  110.70000
   67    59    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   61    51    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    70.00000  112.02700
   50    52    53    35.00000  120.00000
   50    52    54    35.00000  120.00000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   54    52    53    35.00000  117.00000
   55    50    52    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    51    47   0.44750  1.0 1.0
   29    33    51    47  -0.17800 -1.0 2.0
   29    33    51    47   0.20200  1.0 3.0
   29    33    51    59   0.44750  1.0 1.0
   29    33    51    59  -0.17800 -1.0 2.0
   29    33    51    59   0.20200  1.0 3.0
   29    33    51    61   0.44750  1.0 1.0
   29    33    51    61  -0.17800 -1.0 2.0
   29    33    51    61   0.20200  1.0 3.0
   29    33    40    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    45   0.60050  1.0 1.0
   33    37    43    45   0.05600 -1.0 2.0
   33    37    43    45   0.26150  1.0 3.0
   33    51    59    60   0.15000  1.0 3.0
   33    51    59    65   0.56750  1.0 1.0
   33    51    59    65  -0.07550 -1.0 2.0
   33    51    59    65   0.20000  1.0 3.0
   33    51    59    67   0.56750  1.0 1.0
   33    51    59    67  -0.07550 -1.0 2.0
   33    51    59    67   0.20000  1.0 3.0
   33    51    61    62   0.15000  1.0 3.0
   33    51    61    63   0.15000  1.0 3.0
   33    51    61    64   0.15000  1.0 3.0
   37    33    51    47   0.56750  1.0 1.0
   37    33    51    47  -0.07550 -1.0 2.0
   37    33    51    47   0.20000  1.0 3.0
   37    33    51    59   0.56750  1.0 1.0
   37    33    51    59  -0.07550 -1.0 2.0
   37    33    51    59   0.20000  1.0 3.0
   37    33    51    61   0.56750  1.0 1.0
   37    33    51    61  -0.07550 -1.0 2.0
   37    33    51    61   0.20000  1.0 3.0
   37    33    40    71   0.56750  1.0 1.0
   37    33    40    71  -0.07550 -1.0 2.0
   37    33    40    71   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43   -45    47   0.60050  1.0 1.0
   37    43   -45    47   0.05600 -1.0 2.0
   37    43   -45    47   0.26150  1.0 3.0
   37    43    45    50   0.65300  1.0 1.0
   37    43    45    50  -0.03850 -1.0 2.0
   37    43    45    50   0.33900  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    45   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    45   0.00000  1.0 1.0
   43    45    47    48  -0.11250  1.0 3.0
   43    45    47    49  -0.11250  1.0 3.0
   43    45    47    51  -0.95700  1.0 1.0
   43    45    47    51  -0.18200 -1.0 2.0
   43    45    47    51   0.29450  1.0 3.0
   43    45    50    52  -0.51250  1.0 1.0
   43    45    50    52  -0.88800 -1.0 2.0
   43    45    50    52   0.08850  1.0 3.0
   43    45    50    55   0.17250  1.0 1.0
   43    45    50    55  -0.04100 -1.0 2.0
   43    45    50    55  -0.33850  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.30150 -1.0 2.0
   44    43    45    50   0.30150 -1.0 2.0
   45    47   -51    33   0.56750  1.0 1.0
   45    47   -51    33  -0.07550 -1.0 2.0
   45    47   -51    33   0.20000  1.0 3.0
   45    47    51    59   0.56750  1.0 1.0
   45    47    51    59  -0.07550 -1.0 2.0
   45    47    51    59   0.20000  1.0 3.0
   45    47    51    61   0.56750  1.0 1.0
   45    47    51    61  -0.07550 -1.0 2.0
   45    47    51    61   0.20000  1.0 3.0
   45    50    52    53   7.00000 -1.0 2.0
   45    50    52    54   7.00000 -1.0 2.0
   45    50    55    56   0.34800  1.0 3.0
   45    50    55    57   0.34800  1.0 3.0
   45    50    55    58   0.34800  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   46    45    50    52   0.00000  1.0 1.0
   46    45    50    55   0.34800  1.0 3.0
   47    45    50    52   0.09850  1.0 1.0
   47    45    50    52   0.15250 -1.0 2.0
   47    45    50    52  -0.50650  1.0 3.0
   47    45    50    55   0.46850  1.0 1.0
   47    45    50    55   0.08550 -1.0 2.0
   47    45    50    55   0.09800  1.0 3.0
   47    51    59    60   0.15000  1.0 3.0
   47    51    59    65   0.56750  1.0 1.0
   47    51    59    65  -0.07550 -1.0 2.0
   47    51    59    65   0.20000  1.0 3.0
   47    51    59    67   0.56750  1.0 1.0
   47    51    59    67  -0.07550 -1.0 2.0
   47    51    59    67   0.20000  1.0 3.0
   47    51    61    62   0.15000  1.0 3.0
   47    51    61    63   0.15000  1.0 3.0
   47    51    61    64   0.15000  1.0 3.0
   48    47    51    33   0.15000  1.0 3.0
   48    47    51    59   0.15000  1.0 3.0
   48    47    51    61   0.15000  1.0 3.0
   49    47    51    33   0.15000  1.0 3.0
   49    47    51    59   0.15000  1.0 3.0
   49    47    51    61   0.15000  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33    37    39   0.15000  1.0 3.0
   51    33   -37    43  -0.95700  1.0 1.0
   51    33   -37    43  -0.18200 -1.0 2.0
   51    33   -37    43   0.29450  1.0 3.0
   51    33    40    71   0.56750  1.0 1.0
   51    33    40    71  -0.07550 -1.0 2.0
   51    33    40    71   0.20000  1.0 3.0
   51    33    40    41   0.15000  1.0 3.0
   51    33    40    42   0.15000  1.0 3.0
   51    59    65    66   0.15000  1.0 3.0
   51    59   -65    71   0.56750  1.0 1.0
   51    59   -65    71  -0.07550 -1.0 2.0
   51    59   -65    71   0.20000  1.0 3.0
   51    59    65    74   0.62750  1.0 1.0
   51    59    65    74  -0.30950 -1.0 2.0
   51    59    65    74   0.27300  1.0 3.0
   51    59    67    68   0.15000  1.0 3.0
   51    59    67    69   0.15000  1.0 3.0
   51    59    67    70   0.15000  1.0 3.0
   59    51    61    62   0.15000  1.0 3.0
   59    51    61    63   0.15000  1.0 3.0
   59    51    61    64   0.15000  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    73   0.15000  1.0 3.0
   59    65    71    40   0.56750  1.0 1.0
   59    65    71    40  -0.07550 -1.0 2.0
   59    65    71    40   0.20000  1.0 3.0
   59    65    74    75  -0.25900  1.0 1.0
   59    65    74    75  -0.47000 -1.0 2.0
   59    65    74    75   0.11750  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   60    59    65    74   0.23400  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    69   0.15000  1.0 3.0
   60    59    67    70   0.15000  1.0 3.0
   65    59    67    68   0.15000  1.0 3.0
   65    59    67    69   0.15000  1.0 3.0
   65    59    67    70   0.15000  1.0 3.0
   65    71   -40    33   0.56750  1.0 1.0
   65    71   -40    33  -0.07550 -1.0 2.0
   65    71   -40    33   0.20000  1.0 3.0
   65    71    40    41   0.15000  1.0 3.0
   65    71    40    42   0.15000  1.0 3.0
   65    74    75    76   3.00000 -1.0 2.0
   65    74    75    77   2.00000 -1.0 2.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    40   0.15000  1.0 3.0
   66    65    74    75   0.08050  1.0 3.0
   71    65    74    75  -0.25900  1.0 1.0
   71    65    74    75  -0.47000 -1.0 2.0
   71    65    74    75   0.11750  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    41   0.15000  1.0 3.0
   72    71    40    42   0.15000  1.0 3.0
   73    71    40    33   0.15000  1.0 3.0
   73    71    40    41   0.15000  1.0 3.0
   73    71    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    47   0.56750  1.0 1.0
   40    33    51    47  -0.07550 -1.0 2.0
   40    33    51    47   0.20000  1.0 3.0
   40    33   -51    59   0.56750  1.0 1.0
   40    33   -51    59  -0.07550 -1.0 2.0
   40    33   -51    59   0.20000  1.0 3.0
   40    33    51    61   0.56750  1.0 1.0
   40    33    51    61  -0.07550 -1.0 2.0
   40    33    51    61   0.20000  1.0 3.0
   74    65    71    72   0.23400  1.0 3.0
   74    65    71    73   0.23400  1.0 3.0
   74    65    71    40   0.62750  1.0 1.0
   74    65    71    40  -0.30950 -1.0 2.0
   74    65    71    40   0.27300  1.0 3.0
   74    75    77    78  -0.56150  1.0 1.0
   74    75    77    78   2.19150 -1.0 2.0
   74    75    77    80  -0.15000  1.0 1.0
   74    75    77    80   0.89550 -1.0 2.0
   74    75    77    80  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    84   7.00000 -1.0 2.0
   75    77    80    81   0.15000  1.0 3.0
   75    77    80    82   0.15000  1.0 3.0
   75    77    80    83   0.15000  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    80  -0.64400  1.0 1.0
   76    75    77    80   0.26850 -1.0 2.0
   77    78    84    85   0.00000  1.0 1.0
   77    78    84    86   0.00000  1.0 1.0
   77    78    84    87   0.00000  1.0 1.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    83   0.00000  1.0 1.0
   79    78    84    85   0.33100  1.0 3.0
   79    78    84    86   0.33100  1.0 3.0
   79    78    84    87   0.33100  1.0 3.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    84   7.00000 -1.0 2.0
   67    59    65    66   0.15000  1.0 3.0
   67    59    65    71   0.56750  1.0 1.0
   67    59    65    71  -0.07550 -1.0 2.0
   67    59    65    71   0.20000  1.0 3.0
   67    59    65    74   0.62750  1.0 1.0
   67    59    65    74  -0.30950 -1.0 2.0
   67    59    65    74   0.27300  1.0 3.0
   61    51    59    60   0.15000  1.0 3.0
   61    51    59    65   0.56750  1.0 1.0
   61    51    59    65  -0.07550 -1.0 2.0
   61    51    59    65   0.20000  1.0 3.0
   61    51    59    67   0.56750  1.0 1.0
   61    51    59    67  -0.07550 -1.0 2.0
   61    51    59    67   0.20000  1.0 3.0
   50    45    47    48   0.15000  1.0 3.0
   50    45    47    49   0.15000  1.0 3.0
   50    45    47    51   0.34400  1.0 1.0
   50    45    47    51   0.09450 -1.0 2.0
   50    45    47    51   0.11100  1.0 3.0
   52    50    55    56   0.00000  1.0 1.0
   52    50    55    57   0.00000  1.0 1.0
   52    50    55    58   0.00000  1.0 1.0
   55    50    52    53   7.00000 -1.0 2.0
   55    50    52    54   7.00000 -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
   37    45    43    44  10.50000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   75    80    77    78  15.00000 -1.0 2.0
   84    79    78    77  15.00000 -1.0 2.0
   45    55    50    52  15.00000 -1.0 2.0
   53    54    52    50  15.00000 -1.0 2.0
END
