* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    153    229     446
    1     0 S   NP   _N1_     1    27.67238    97.37163   -20.34962
    2     1 S   H    _HN1     2     1.02958    77.22054    33.98477
    3     1 S   H    _H1_     3     1.02836    47.59666   161.89133
    4     1 S   H    _H2_     4     1.02776    83.45637   -76.54183
    5     1 S   CT   _CA1     5     1.50125   157.75862   146.90214
    6     5 S   HC   _HA1     6     1.09574   105.22350    70.95993
    7     5 S   CO3  _C1_     7     1.53787   112.35754   -49.24677
    8     7 S   O2Z  _O11     8     1.26364   114.99879   -44.24372
    9     7 S   O2Z  _O12     9     1.26235   114.93016   134.88509
   10     5 S   CT   _CB1    10     1.53100   107.42509  -171.12976
   11    10 S   HC   HB11    11     1.09827   109.34061   -50.58241
   12    10 S   HC   HB12    12     1.09816   110.42325    65.97245
   13    10 S   CT   _CG1    13     1.53021   112.66834  -171.65560
   14    13 S   HC   HG11    14     1.09593   110.48883   -64.15762
   15    13 S   HC   HG12    15     1.09656   109.91905    55.04198
   16    13 S   C    _CD1    16     1.51850   112.31886   175.41435
   17    16 S   O    _OE1    17     1.22751   123.27716     0.19782
   18    16 S   N    _N2_    18     1.38600   111.72090  -179.95577
   19    18 S   H    _HN2    19     1.01589   118.79653     5.21188
   20    18 S   CT1  _CA2    20     1.45727   122.96005   177.20285
   21    20 S   HC   _HA2    21     1.09651   108.35315    17.82594
   22    20 S   C    _C2_    22     1.52729   107.98605   -98.16842
   23    22 S   O    _O2_    23     1.22841   123.33720   -27.70952
   24    20 S   CT   _CB2    32     1.53244   111.78817   141.26937
   25    24 S   HC   HB21    33     1.09599   110.55369    35.23504
   26    24 S   HC   HB22    34     1.09545   112.12413   153.99828
   27    22 S   N    _N3_    24     1.38575   111.79091   155.15238
   28    27 S   H    _HN3    25     1.01664   119.91213    -3.55154
   29    24 S   S    _SG2    35     1.82559   111.26195   -84.30366
   30    27 S   CT   _CA3    26     1.45291   123.10965   178.56769
   31    30 S   HC   HA31    27     1.09548   108.00143   -52.23411
   32    30 S   HC   HA32    28     1.09531   107.59395    64.34836
   33    29 S   CT   _C20    36     1.81451    98.77477   -87.91828
   34    33 S   F    F4__    37     1.35931   110.61984    46.45216
   35    33 S   F    F5__    38     1.35959   109.51339   -70.45701
   36    30 S   CO3  _C3_    29     1.52906   113.73630  -174.20482
   37    36 S   O2Z  _O31    30     1.26493   115.90712    -2.45455
   38    36 S   O2Z  _O32    31     1.26313   114.70491   176.95098
   39    33 S   CT   _C19    39     1.52089   111.87847   168.21321
   40    39 S   HC   _H22    40     1.09625   110.22411    60.56279
   41    39 S   HC   _H23    41     1.09634   109.75622   -62.35789
   42    39 S   OS   _O35    42     1.43321   106.97165   179.09691
   43    42 S   CA   _C6_    43     1.36865   118.15728   178.33599
   44    43 S   CA   _C5_    44     1.39901   124.27307     0.14127
   45    44 S   HA   _H5_    45     1.08613   121.83160    -1.27180
   46    44 S   CA   _C4_    46     1.40052   120.90965   178.28628
   47    46 S   HA   _H4_    47     1.08582   117.71420  -179.95154
   48    46 S   CA   _C9_    48     1.39364   120.39913    -0.26541
   49    48 S   CA   _C8_    49     1.39707   119.09641     0.28667
   50    49 S   HA   _H6_    50     1.08876   119.06573   179.80021
   51    48 S   OS   _O33    76     1.36874   125.96663  -179.74359
   52    43 S   CA   _C7_    51     1.40548   117.06720   178.88057
   53    51 S   CT3  _C10    77     1.42776   117.09032     0.18131
   54    53 S   HC   _H7_    78     1.09598   110.21041    60.73744
   55    53 S   HC   _H8_    79     1.09597   110.20447   -60.89702
   56    52 S   C    _C12    52     1.48720   123.13820     0.73860
   57    56 S   O    _O34    53     1.22766   119.40811  -140.37169
   58    53 S   CT   _C11    80     1.51242   108.43696   179.92598
   59    58 S   F    F1__    81     1.34993   111.38698   -60.41465
   60    58 S   F    F2__    82     1.35167   110.49857   179.97202
   61    58 S   F    F3__    83     1.34996   111.38127    60.39034
   62    56 S   N    _N4_    54     1.38433   115.89966    40.90217
   63    62 S   H    _H9_    55     1.01593   119.60674     0.23739
   64    62 S   CT   _C13    56     1.45414   122.31607   179.34598
   65    64 S   HC   _H10    57     1.09549   107.23663  -158.14118
   66    64 S   HC   _H11    58     1.09599   107.97386   -42.03004
   67    64 S   CT   _C14    59     1.53151   112.14345    79.24568
   68    67 S   HC   _H3_    60     1.09672   110.65245   -52.11663
   69    67 S   CT   _C15    61     1.52904   112.04023  -176.02418
   70    69 S   HC   _H12    62     1.09634   109.81884    63.34945
   71    69 S   HC   _H13    63     1.09756   110.20306   -54.01580
   72    69 S   CT   _C16    64     1.52795   111.45149  -175.44736
   73    72 S   HC   _H14    65     1.09702   109.35478   -66.79782
   74    72 S   HC   _H15    66     1.09575   109.74195   176.16585
   75    72 S   CT   _C17    67     1.52657   111.56752    54.31564
   76    75 S   HC   _H16    68     1.09648   109.23033    68.36305
   77    75 S   HC   _H17    69     1.09571   109.65980  -175.00009
   78    75 S   CT   _C18    70     1.52037   111.85104   -53.18744
   79    78 S   HC   _H18    71     1.09403   111.47985   171.85736
   80    78 S   HC   _H19    72     1.09482   112.12394   -65.24443
   81    67 S   NP   _N5_    73     1.50250   108.80324    64.27079
   82    81 S   H    _H20    74     1.03605   109.33654    58.47444
   83    81 S   H    _H21    75     1.02923   109.20922   -56.57416
  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
   7   5   4   2   1   1   6   3   2   7  11   8   4   7   3   9
   7   3   8   5   6   5   4   7   3   3   2   1   1   8   4  12
   5   4  14   8  12   6   5   9   5   4   8   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    52  
   41    42    43  
   42    43  
   43    44    45    46    49    52    56  
   44    45    46    47    48    49    50    52    56    57    62  
   45    46    47    48    49    52    56    51  
   46    47    48    52  
   47    48    49    50    52    51    53  
   48    49    51  
   49    50    52    56    51    53    54    55    58  
   50    52    56    57    62    51    53  
   52    56    51  
   53    54    55    58    59    60    61    52  
   56    57    62    63    64  
   54    55    58    59    60    61  
   55    58    59    60    61  
   58    59    60    61  
   57    62    63    64    65    66    67  
   62    63    64  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    81  
   64    65    66    67  
   65    66    67    68    69    70    71    72    78    81    82    83  
   66    67    68    69    81  
   67    68    69    81  
   68    69    70    71    72    73    74    75    78    79    80    81    82    83  
   69    70    71    72    78    81    82    83  
   70    71    72    73    74    75    76    77    78    81    82    83  
   71    72    73    74    75    81  
   72    73    74    75    81  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.175000   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   3.2500   0.0620   0.247500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   2.9000   0.1400  -0.307500   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.142300   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.082500   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.082500   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.2500   0.0620   0.532300   1.9750   1.7500   0.005000000  -0.741685710
   59   2.9400   0.0610  -0.205700   2.4980   2.2250   0.001000000   0.985400000
   60   2.9400   0.0610  -0.205700   2.4980   2.2250   0.001000000   0.985400000
   61   2.9400   0.0610  -0.205700   2.4980   2.2250   0.001000000   0.985400000
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   82   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   320.000  1.410
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    52   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    51   450.000  1.364
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    56   400.000  1.490
   56    57   570.000  1.229
   56    62   490.000  1.335
   62    63   434.000  1.010
   62    64   337.000  1.449
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    81   367.000  1.471
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   367.000  1.471
   81    82   434.000  1.010
   81    83   434.000  1.010
   51    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   367.000  1.332
   58    60   367.000  1.332
   58    61   367.000  1.332
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    50.00000  109.50000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    42    43    75.00000  111.00000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    52    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    52    49    63.00000  120.00000
   43    52    56    85.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    51    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    52    63.00000  120.00000
   48    51    53    75.00000  111.00000
   49    52    56    85.00000  120.00000
   52    43    44    63.00000  120.00000
   52    49    50    35.00000  120.00000
   52    56    57    80.00000  120.40000
   52    56    62    75.00000  113.92100
   56    62    63    35.00000  119.80000
   56    62    64    50.00000  121.90000
   62    56    57    80.00000  122.90000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    67    70.00000  110.72300
   64    62    63    38.00000  118.40000
   64    67    68    37.50000  110.70000
   64    67    69    58.35000  112.70000
   64    67    81    80.00000  111.20000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    72    58.35000  112.70000
   67    81    78    75.00000  113.01200
   67    81    82    35.00000  109.50000
   67    81    83    35.00000  109.50000
   69    67    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    80.00000  111.20000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    67    68    35.00000  109.50000
   81    67    69    80.00000  111.20000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   83    81    82    35.00000  109.50000
   51    48    49    70.00000  120.00000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    58    50.00000  109.50000
   53    58    59    50.00000  109.50000
   53    58    60    50.00000  109.50000
   53    58    61    50.00000  109.50000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   60    58    59    77.00000  109.10000
   61    58    59    77.00000  109.10000
   61    58    60    77.00000  109.10000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43  -0.32850  1.0 1.0
   33    39    42    43  -0.35800 -1.0 2.0
   33    39    42    43   0.33950  1.0 3.0
   34    33    39    40   0.22100  1.0 3.0
   34    33    39    41   0.22100  1.0 3.0
   34    33    39    42   0.51850  1.0 1.0
   34    33    39    42  -0.72850 -1.0 2.0
   35    33    39    40   0.22100  1.0 3.0
   35    33    39    41   0.22100  1.0 3.0
   35    33    39    42   0.51850  1.0 1.0
   35    33    39    42  -0.72850 -1.0 2.0
   39    42    43    44   1.63200 -1.0 2.0
   39    42    43    52   1.63200 -1.0 2.0
   40    39    42    43   0.08050  1.0 3.0
   41    39    42    43   0.08050  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    52    49   3.62500 -1.0 2.0
   42    43    52    56   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   43    52    56    57   1.05000 -1.0 2.0
   43    52    56    62   0.75700  1.0 1.0
   43    52    56    62   0.34650 -1.0 2.0
   43    52    56    62   0.33000  1.0 3.0
   43    52    56    62  -0.28100 -1.0 4.0
   44    43    52    49   3.62500 -1.0 2.0
   44    43    52    56   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    51   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    51    53   1.63200 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   48    49   -52    43   3.62500 -1.0 2.0
   48    49    52    56   3.62500 -1.0 2.0
   48    51    53    54   0.08050  1.0 3.0
   48    51    53    55   0.08050  1.0 3.0
   48    51    53    58  -0.32850  1.0 1.0
   48    51    53    58  -0.35800 -1.0 2.0
   48    51    53    58   0.33950  1.0 3.0
   49    48    51    53   1.63200 -1.0 2.0
   49    52    56    57   1.05000 -1.0 2.0
   49    52    56    62   0.75700  1.0 1.0
   49    52    56    62   0.34650 -1.0 2.0
   49    52    56    62   0.33000  1.0 3.0
   49    52    56    62  -0.28100 -1.0 4.0
   50    49    52    43   3.62500 -1.0 2.0
   50    49    52    56   3.62500 -1.0 2.0
   52    43    44    45   3.62500 -1.0 2.0
   52    43   -44    46   3.62500 -1.0 2.0
   52    56    62    63   2.56700 -1.0 2.0
   52    56    62    64   1.49850  1.0 1.0
   52    56    62    64   1.53950 -1.0 2.0
   56    62    64    65   0.00000  1.0 1.0
   56    62    64    66   0.00000  1.0 1.0
   56    62    64    67  -0.43950  1.0 1.0
   56    62    64    67  -0.08100 -1.0 2.0
   56    62    64    67   0.03350  1.0 3.0
   57    56    62    63   2.45000 -1.0 2.0
   57    56    62    64   3.04450 -1.0 2.0
   62    64    67    68   0.15000  1.0 3.0
   62    64    67    69   0.43900  1.0 1.0
   62    64    67    69   0.49100 -1.0 2.0
   62    64    67    69   0.28400  1.0 3.0
   62    64    67    81   3.05550  1.0 1.0
   62    64    67    81   2.44300 -1.0 2.0
   62    64    67    81   0.51100  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    67   0.00000  1.0 1.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    69    71   0.15000  1.0 3.0
   64    67    69    72   0.56750  1.0 1.0
   64    67    69    72  -0.07550 -1.0 2.0
   64    67    69    72   0.20000  1.0 3.0
   64    67    81    78   0.47100  1.0 1.0
   64    67    81    82   0.17350  1.0 3.0
   64    67    81    83   0.17350  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    81   0.19200  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    81   0.19200  1.0 3.0
   67    69    72    73   0.15000  1.0 3.0
   67    69    72    74   0.15000  1.0 3.0
   67    69    72    75   0.56750  1.0 1.0
   67    69    72    75  -0.07550 -1.0 2.0
   67    69    72    75   0.20000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   68    67    81    78   0.15000  1.0 3.0
   68    67    81    82   0.13050  1.0 3.0
   68    67    81    83   0.13050  1.0 3.0
   69    67    81    78   0.47100  1.0 1.0
   69    67    81    82   0.17350  1.0 3.0
   69    67    81    83   0.17350  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.15000  1.0 3.0
   69    72   -75    78   0.56750  1.0 1.0
   69    72   -75    78  -0.07550 -1.0 2.0
   69    72   -75    78   0.20000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   1.36600  1.0 1.0
   72    75    78    81  -0.11450 -1.0 2.0
   72    75    78    81   0.24250  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78   -81    67   0.47100  1.0 1.0
   75    78    81    82   0.17350  1.0 3.0
   75    78    81    83   0.17350  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.19200  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.19200  1.0 3.0
   79    78    81    67   0.15000  1.0 3.0
   79    78    81    82   0.13050  1.0 3.0
   79    78    81    83   0.13050  1.0 3.0
   80    78    81    67   0.15000  1.0 3.0
   80    78    81    82   0.13050  1.0 3.0
   80    78    81    83   0.13050  1.0 3.0
   81    67    69    70   0.19200  1.0 3.0
   81    67    69    71   0.19200  1.0 3.0
   81    67   -69    72   1.36600  1.0 1.0
   81    67   -69    72  -0.11450 -1.0 2.0
   81    67   -69    72   0.24250  1.0 3.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    52   3.62500 -1.0 2.0
   51    53    58    59   0.51850  1.0 1.0
   51    53    58    59  -0.72850 -1.0 2.0
   51    53    58    60   0.51850  1.0 1.0
   51    53    58    60  -0.72850 -1.0 2.0
   51    53    58    61   0.51850  1.0 1.0
   51    53    58    61  -0.72850 -1.0 2.0
   54    53    58    59   0.03200  1.0 3.0
   54    53    58    60   0.03200  1.0 3.0
   54    53    58    61   0.03200  1.0 3.0
   55    53    58    59   0.03200  1.0 3.0
   55    53    58    60   0.03200  1.0 3.0
   55    53    58    61   0.03200  1.0 3.0
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
   37    30    36    38  10.50000 -1.0 2.0
   44    52    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    51    48    46   4.00000 -1.0 2.0
   52    50    49    48   1.10000 -1.0 2.0
   49    56    52    43   4.00000 -1.0 2.0
   52    62    56    57  10.50000 -1.0 2.0
   63    56    62    64   1.00000 -1.0 2.0
END
