* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    163    248     475
    1     0 S   NP   _N1_     1    28.95378    96.11318   -25.41292
    2     1 S   H    _HN1     2     1.02951    74.16664     9.46471
    3     1 S   H    _H1_     3     1.02828    33.08858  -176.43059
    4     1 S   H    _H2_     4     1.02785   116.07732   -93.58292
    5     1 S   CT   _CA1     5     1.50122   126.81588   113.35299
    6     5 S   HC   _HA1     6     1.09576   105.18661    92.54680
    7     5 S   CO3  _C1_     7     1.53782   112.44125   -27.65531
    8     7 S   O2Z  _O11     8     1.26372   115.00496   -42.94477
    9     7 S   O2Z  _O12     9     1.26242   114.93975   136.13297
   10     5 S   CT   _CB1    10     1.53078   107.41060  -149.50909
   11    10 S   HC   HB11    11     1.09833   109.33447   -49.93869
   12    10 S   HC   HB12    12     1.09813   110.46390    66.65530
   13    10 S   CT   _CG1    13     1.52994   112.62092  -170.93096
   14    13 S   HC   HG11    14     1.09583   110.61762   -66.05545
   15    13 S   HC   HG12    15     1.09672   109.79258    53.17314
   16    13 S   C    _CD1    16     1.51811   112.21942   173.58653
   17    16 S   O    _OE1    17     1.22736   123.28398     6.69261
   18    16 S   N    _N2_    18     1.38662   111.68116  -173.30816
   19    18 S   H    _HN2    19     1.01578   118.94656     1.47698
   20    18 S   CT1  _CA2    20     1.46189   123.37100   177.31183
   21    20 S   HC   _HA2    21     1.09740   109.34215     2.91188
   22    20 S   C    _C2_    22     1.53568   108.65395  -112.55105
   23    22 S   O    _O2_    23     1.23064   122.26721  -148.14644
   24    20 S   CT   _CB2    32     1.53374   111.66398   124.91312
   25    24 S   HC   HB21    33     1.09493   109.92111    56.46896
   26    24 S   HC   HB22    34     1.09507   110.00786   175.53674
   27    22 S   N    _N3_    24     1.38325   113.73366    39.31712
   28    27 S   H    _HN3    25     1.01583   119.58330    -3.36034
   29    24 S   S    _SG2    35     1.82747   111.46288   -64.55224
   30    27 S   CT   _CA3    26     1.45287   123.21490   177.11134
   31    30 S   HC   HA31    27     1.09550   107.51383   -64.46252
   32    30 S   HC   HA32    28     1.09557   107.98022    51.97455
   33    29 S   CT   _C22    36     1.84286   100.08011  -171.10141
   34    33 S   HC   _H6_    37     1.09745   106.32047    46.33895
   35    30 S   CO3  _C3_    29     1.52960   114.08345   173.96593
   36    35 S   O2Z  _O31    30     1.26378   116.06737    -0.73302
   37    35 S   O2Z  _O32    31     1.26430   114.41202   179.32856
   38    33 S   CT   _C7_    38     1.55547   113.31373   162.87436
   39    38 S   HC   _H4_    39     1.09871   105.71276  -178.39502
   40    33 S   CT   _C23    84     1.53080   110.90722   -70.11089
   41    40 S   HC   _H24    85     1.09440   112.58366   -56.71340
   42    40 S   HC   _H25    86     1.09577   110.42940  -177.07216
   43    40 S   HC   _H26    87     1.09462   111.44461    64.60395
   44    38 S   CO4  _C8_    40     1.53182   113.86510    66.17226
   45    44 S   O    _O33    41     1.22287   125.74116   -15.73800
   46    38 S   CT   _C6_    66     1.55171   112.24949   -58.72328
   47    46 S   HC   _H10    67     1.09743   110.56158   -14.05884
   48    46 S   HC   _H11    68     1.09598   108.71742   101.94337
   49    44 S   OS   _O34    42     1.36785   109.53696   164.41810
   50    49 S   CT   _C9_    43     1.43313   115.86219   177.03067
   51    50 S   HC   _H5_    44     1.09589   111.35556   -44.44604
   52    50 S   CR3  _C12    45     1.47800   106.76896  -166.47543
   53    50 S   CT   _C10    54     1.55517   111.27770    81.89613
   54    53 S   HC   _H12    55     1.09367   112.65731    -9.90189
   55    53 S   HC   _H13    56     1.09495   110.31574  -133.42764
   56    52 S   C5BC _C13    46     1.37437   140.24441    64.57369
   57    56 S   C5BC _C14    47     1.43297   105.16009  -179.15767
   58    57 S   HA   _H14    48     1.08187   126.45280   179.59074
   59    56 S   CT   _C16    57     1.48677   127.24086    -0.66500
   60    59 S   HC   _H16    58     1.09636   109.32964    44.96177
   61    59 S   HC   _H17    59     1.09530   110.41401   163.92167
   62    57 S   C5A  _C15    49     1.38493   108.49467     0.22294
   63    62 S   HA   _H15    50     1.08147   131.49659   179.71884
   64    59 S   OS   _O36    60     1.43763   109.56469   -77.54764
   65    52 S   NA   _N4_    51     1.35637   110.41457  -114.41151
   66    64 S   CO4  _C17    61     1.36381   117.69818   144.27157
   67    66 S   O    _O37    62     1.22409   125.41381     4.63215
   68    65 S   C    _C11    52     1.37645   114.71668    -0.46140
   69    68 S   O    _O35    53     1.21372   122.63010   179.05622
   70    66 S   CT   _C18    63     1.54101   109.80969  -173.02239
   71    70 S   CT   _C5_    64     1.57070   108.04689    67.91643
   72    71 S   HC   _H3_    65     1.09713   108.23840   -53.72981
   73    70 S   CT   _C19    73     1.53937   109.76540   -53.68252
   74    73 S   HC   _H18    74     1.09527   111.45017  -162.93583
   75    73 S   HC   _H19    75     1.09566   111.55449    75.22911
   76    73 S   HC   _H20    76     1.09544   111.55204   -43.76006
   77    70 S   OS   _O38    77     1.44878   111.13192  -175.59291
   78    71 S   CT   _C4_    69     1.54007   112.14112  -171.50107
   79    78 S   HC   _H7_    70     1.09508   111.43428   -56.20597
   80    78 S   HC   _H8_    71     1.09463   111.36740  -176.47608
   81    78 S   HC   _H9_    72     1.09428   111.27539    64.58996
   82    77 S   CO4  _C20    78     1.36187   121.26067    62.16745
   83    82 S   O    _O39    79     1.22256   126.86803     0.30196
   84    82 S   CT   _C21    80     1.49872   109.23952  -179.61437
   85    84 S   HC   _H21    81     1.09292   109.82839   -60.89638
   86    84 S   HC   _H22    82     1.09378   109.37541  -179.94766
   87    84 S   HC   _H23    83     1.09295   109.81492    61.00235
  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  16   8   5   2   1   1  10   3  13   5   4
   9  12   7  15   7   4   3  11   9   4   8   3   2   4   2   6
   2  11   4   1   1  14  11   6   6   3   2   1   7   3   2   1
   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    71    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    70    71    72    46    47    48    78    40    41    42    43  
   44    45    49    71    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    53    71    46    47    48  
   49    50    46  
   47    48    78    79    80    81    73    77    49    66    70    71    72  
   48    78    70    71    72  
   78    70    71    72  
   50    51    52    56    65    68    53    54    55  
   51    52    56    57    62    65    68    69    53    54    55    59  
   52    56    65    68    53    54    55  
   56    57    58    62    63    65    68    69    53    54    55    59    60    61    64  
   54    55    56    62    65    68    69  
   55    65    68    69  
   65    68    69  
   57    58    62    63    65    68    59    60    61    64    66  
   58    62    63    65    68    59    60    61    64  
   62    63    65    59  
   60    61    64    66    67    70    62    65  
   61    64    66  
   64    66  
   63    65    68    69  
   65    68  
   66    67    70    71    73    77  
   68    69  
   67    70    71    72    78    73    74    75    76    77    82  
   70    71    73    77  
   69  
    0  
   71    72    78    79    80    81    73    74    75    76    77    82    83    84  
   72    78    79    80    81    73    74    75    76    77    82  
   78    79    80    81    73    77  
   74    75    76    77    82    78  
   75    76    77  
   76    77  
   77  
   82    83    84    85    86    87    78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86    87  
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.123000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.146000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.149000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.118000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.305000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.2500   0.1700  -0.044500   1.8650   1.6500   0.001000000  -0.511443539
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.622500   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.500000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   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    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    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    56   440.000  1.409
   52    65   483.000  1.339
   56    57   469.000  1.424
   56    59   285.000  1.502
   57    58   367.000  1.080
   57    62   546.000  1.367
   62    63   367.000  1.080
   62    65   427.000  1.381
   65    68   320.000  1.420
   68    69   570.000  1.229
   68    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   320.000  1.410
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   268.000  1.529
   70    73   268.000  1.529
   70    77   320.000  1.410
   71    72   340.000  1.090
   71    46   268.000  1.529
   71    78   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    82   214.000  1.327
   82    83   570.000  1.229
   82    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    71    58.35000  112.70000
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  111.85700
   49    50    53    50.00000  109.50000
   50    52    56    70.00000  120.00000
   50    52    65    75.00000  115.74700
   50    53    68    63.00000  111.10000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    56    57    75.00000  116.72000
   52    56    59    80.00000  105.07000
   52    65    62    70.00000  114.00000
   52    65    68    70.00000  114.00000
   56    57    58    35.00000  127.50000
   56    57    62    70.00000  107.30000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    64    85.00000  111.85700
   57    62    63    35.00000  132.10000
   57    62    65    70.00000  107.70000
   62    57    58    35.00000  125.70000
   62    65    68    65.00000  122.39000
   65    52    56    75.00000  118.00000
   65    62    63    35.00000  121.60000
   65    68    69    95.00000  116.26000
   65    68    53    70.00000  116.00000
   68    53    54    35.00000  109.50000
   68    53    55    35.00000  109.50000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.17500
   53    68    69    80.00000  120.40000
   55    53    54    33.00000  107.80000
   59    56    57    60.00000  130.00000
   59    64    66    83.00000  116.90000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   64    66    67    83.00000  123.40000
   64    66    70    81.00000  111.40000
   66    70    71    63.00000  111.10000
   66    70    73    63.00000  111.10000
   66    70    77    90.00000  108.74100
   70    66    67    80.00000  120.40000
   70    71    72    37.50000  110.70000
   70    71    46    58.35000  112.70000
   70    71    78    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   70    77    82    83.00000  116.90000
   71    46    47    37.50000  110.70000
   71    46    48    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    37.50000  110.70000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   46    71    72    37.50000  110.70000
   48    46    47    33.00000  107.80000
   78    71    72    37.50000  110.70000
   78    71    46    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   73    70    71    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    70    71    50.00000  109.50000
   77    70    73    50.00000  109.50000
   77    82    83    83.00000  123.40000
   77    82    84    81.00000  111.40000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    35.00000  109.50000
   84    82    83    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    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    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    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   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
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    71   0.56750  1.0 1.0
   33    38    46    71  -0.07550 -1.0 2.0
   33    38    46    71   0.20000  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   39    38    46    71   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   44    38    46    71  -0.95700  1.0 1.0
   44    38    46    71  -0.18200 -1.0 2.0
   44    38    46    71   0.29450  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -0.43900 -1.0 2.0
   44    49    50    52   0.14100  1.0 3.0
   44    49    50    53  -0.25900  1.0 1.0
   44    49    50    53  -0.47000 -1.0 2.0
   44    49    50    53   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    56   0.64500  1.0 1.0
   49    50    52    56   0.14800 -1.0 2.0
   49    50    52    56   0.20650  1.0 3.0
   49    50    52    65   0.04300 -1.0 2.0
   49    50    53    68  -0.09450  1.0 1.0
   49    50    53    68  -1.12950 -1.0 2.0
   49    50    53    68   0.54000  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   50    52    56    57   3.62500 -1.0 2.0
   50    52    56    59   3.62500 -1.0 2.0
   50    52    65    62   3.62500 -1.0 2.0
   50    52   -65    68   3.62500 -1.0 2.0
   51    50    52    56   0.00000  1.0 1.0
   51    50    52    65   0.00000  1.0 1.0
   51    50    53    68  -0.11250  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   52    50   -53    68   0.56750  1.0 1.0
   52    50   -53    68  -0.07550 -1.0 2.0
   52    50   -53    68   0.20000  1.0 3.0
   52    50    53    54   0.43200  1.0 3.0
   52    50    53    55   0.43200  1.0 3.0
   52    56    57    58   3.62500 -1.0 2.0
   52    56   -57    62   3.62500 -1.0 2.0
   52    56    59    60   0.00000  1.0 1.0
   52    56    59    61   0.00000  1.0 1.0
   52    56    59    64   0.64500  1.0 1.0
   52    56    59    64   0.14800 -1.0 2.0
   52    56    59    64   0.20650  1.0 3.0
   52    65    68    69   2.25000 -1.0 2.0
   52    65   -68    53   2.25000 -1.0 2.0
   56    52   -65    62   3.62500 -1.0 2.0
   56    52    65    68   3.62500 -1.0 2.0
   56    57    62    63   3.62500 -1.0 2.0
   56    57   -62    65   3.62500 -1.0 2.0
   56    59    64    66  -0.43900 -1.0 2.0
   56    59    64    66   0.14100  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   57    56    59    64   0.64500  1.0 1.0
   57    56    59    64   0.14800 -1.0 2.0
   57    56    59    64   0.20650  1.0 3.0
   57    62   -65    52   3.62500 -1.0 2.0
   57    62    65    68   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    65   3.62500 -1.0 2.0
   62    65    68    69   2.25000 -1.0 2.0
   62    65    68    53   2.25000 -1.0 2.0
   63    62    65    52   3.62500 -1.0 2.0
   63    62    65    68   3.62500 -1.0 2.0
   65    52   -56    57   3.62500 -1.0 2.0
   65    52    56    59   3.62500 -1.0 2.0
   65    68   -53    50   0.00000  1.0 1.0
   65    68    53    54   0.00000  1.0 1.0
   65    68    53    55   0.00000  1.0 1.0
   69    68    53    50   0.30150 -1.0 2.0
   69    68    53    54   0.00000  1.0 1.0
   69    68    53    55   0.00000  1.0 1.0
   53    50    52    56   0.04150 -1.0 2.0
   53    50   -52    65   0.39850  1.0 1.0
   53    50   -52    65   0.06450 -1.0 2.0
   53    50   -52    65   0.32400  1.0 3.0
   59    56    57    58   3.62500 -1.0 2.0
   59    56    57    62   3.62500 -1.0 2.0
   59    64    66    67   3.00000 -1.0 2.0
   59    64    66    70   1.63150  1.0 1.0
   59    64    66    70   2.92000 -1.0 2.0
   60    59    64    66   0.08050  1.0 3.0
   61    59    64    66   0.08050  1.0 3.0
   64    66    70    71   0.36750  1.0 3.0
   64    66    70    73   0.36750  1.0 3.0
   64    66    70    77   0.40000  1.0 3.0
   66    70    71    72  -0.11250  1.0 3.0
   66    70    71    46  -0.95700  1.0 1.0
   66    70    71    46  -0.18200 -1.0 2.0
   66    70    71    46   0.29450  1.0 3.0
   66    70    71    78  -0.95700  1.0 1.0
   66    70    71    78  -0.18200 -1.0 2.0
   66    70    71    78   0.29450  1.0 3.0
   66    70    73    74  -0.11250  1.0 3.0
   66    70    73    75  -0.11250  1.0 3.0
   66    70    73    76  -0.11250  1.0 3.0
   66    70    77    82  -1.80650  1.0 1.0
   66    70    77    82   0.63900 -1.0 2.0
   66    70    77    82   0.03650  1.0 3.0
   67    66    70    71   0.30150 -1.0 2.0
   67    66    70    73   0.30150 -1.0 2.0
   67    66    70    77   0.30150 -1.0 2.0
   70    71    46    38   0.56750  1.0 1.0
   70    71    46    38  -0.07550 -1.0 2.0
   70    71    46    38   0.20000  1.0 3.0
   70    71    46    47   0.15000  1.0 3.0
   70    71    46    48   0.15000  1.0 3.0
   70    71    78    79   0.15000  1.0 3.0
   70    71    78    80   0.15000  1.0 3.0
   70    71    78    81   0.15000  1.0 3.0
   70    77    82    83   3.00000 -1.0 2.0
   70    77    82    84   1.63150  1.0 1.0
   70    77    82    84   2.92000 -1.0 2.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   71    70    77    82  -0.25900  1.0 1.0
   71    70    77    82  -0.47000 -1.0 2.0
   71    70    77    82   0.11750  1.0 3.0
   72    71    46    38   0.15000  1.0 3.0
   72    71    46    47   0.15000  1.0 3.0
   72    71    46    48   0.15000  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    81   0.15000  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    71    78    79   0.15000  1.0 3.0
   46    71    78    80   0.15000  1.0 3.0
   46    71    78    81   0.15000  1.0 3.0
   78    71    46    38   0.56750  1.0 1.0
   78    71    46    38  -0.07550 -1.0 2.0
   78    71    46    38   0.20000  1.0 3.0
   78    71    46    47   0.15000  1.0 3.0
   78    71    46    48   0.15000  1.0 3.0
   73    70    71    72   0.15000  1.0 3.0
   73    70    71    46   0.56750  1.0 1.0
   73    70    71    46  -0.07550 -1.0 2.0
   73    70    71    46   0.20000  1.0 3.0
   73    70    71    78   0.56750  1.0 1.0
   73    70    71    78  -0.07550 -1.0 2.0
   73    70    71    78   0.20000  1.0 3.0
   73    70    77    82  -0.25900  1.0 1.0
   73    70    77    82  -0.47000 -1.0 2.0
   73    70    77    82   0.11750  1.0 3.0
   77    70    71    72   0.23400  1.0 3.0
   77    70    71    46   0.62750  1.0 1.0
   77    70    71    46  -0.30950 -1.0 2.0
   77    70    71    46   0.27300  1.0 3.0
   77    70    71    78   0.62750  1.0 1.0
   77    70    71    78  -0.30950 -1.0 2.0
   77    70    71    78   0.27300  1.0 3.0
   77    70    73    74   0.23400  1.0 3.0
   77    70    73    75   0.23400  1.0 3.0
   77    70    73    76   0.23400  1.0 3.0
   77    82    84    85   0.00000  1.0 1.0
   77    82    84    86   0.00000  1.0 1.0
   77    82    84    87   0.00000  1.0 1.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   0.00000  1.0 1.0
   83    82    84    87   0.00000  1.0 1.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  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
   36    30    35    37  10.50000 -1.0 2.0
   38    49    44    45  10.50000 -1.0 2.0
   56    65    52    50   4.00000 -1.0 2.0
   57    59    56    52   4.00000 -1.0 2.0
   62    58    57    56   1.10000 -1.0 2.0
   65    63    62    57   1.10000 -1.0 2.0
   62    68    65    52   4.00000 -1.0 2.0
   65    53    68    69  10.50000 -1.0 2.0
   64    70    66    67  10.50000 -1.0 2.0
   77    84    82    83  10.50000 -1.0 2.0
END
