* LIGAND DATABASE FILE (OPLS2005)
*
001      70    69    126    179     367
    1     0 S   NP   _N1_     1    28.42101    95.47191   -21.06095
    2     1 S   H    _HN1     2     1.02844    37.59472   151.91596
    3     1 S   H    _H1_     3     1.02774    91.04897   -89.50842
    4     1 S   H    _H2_     4     1.02955    81.37647    18.92049
    5     1 S   CT   _CA1     5     1.50101   147.27271   133.58173
    6     5 S   HC   _HA1     6     1.09574   105.23275    71.09069
    7     5 S   CO3  _C1_     7     1.53785   112.34302   -49.13867
    8     7 S   O2Z  _O11     8     1.26360   114.98203   -44.78558
    9     7 S   O2Z  _O12     9     1.26231   114.91759   134.40153
   10     5 S   CT   _CB1    10     1.53121   107.48211  -170.97095
   11    10 S   HC   HB11    11     1.09826   109.37681   -50.58880
   12    10 S   HC   HB12    12     1.09817   110.44325    65.99441
   13    10 S   CT   _CG1    13     1.53021   112.60273  -171.64215
   14    13 S   HC   HG11    14     1.09592   110.49589   -63.73410
   15    13 S   HC   HG12    15     1.09654   109.92098    55.47410
   16    13 S   C    _CD1    16     1.51793   112.34226   175.88544
   17    16 S   O    _OE1    17     1.22761   123.33374    -0.16432
   18    16 S   N    _N2_    18     1.38708   111.71435  -179.72948
   19    18 S   H    _HN2    19     1.01599   118.90058     3.11602
   20    18 S   CT1  _CA2    20     1.46021   123.40585  -179.81025
   21    20 S   HC   _HA2    21     1.09497   108.36982     7.20067
   22    20 S   C    _C2_    22     1.53291   109.63663  -106.94939
   23    22 S   O    _O2_    23     1.23050   122.31518  -142.03647
   24    20 S   CT   _CB2    32     1.53242   111.63501   128.42099
   25    24 S   HC   HB21    33     1.09588   110.25067    48.06691
   26    24 S   HC   HB22    34     1.09508   111.98580   167.04524
   27    22 S   N    _N3_    24     1.38575   113.17779    47.58254
   28    27 S   H    _HN3    25     1.01476   119.25406    -4.84266
   29    24 S   S    _SG2    35     1.82800   111.69761   -71.73321
   30    27 S   CT   _CA3    26     1.45368   123.00855   168.11015
   31    30 S   HC   HA31    27     1.09517   109.28117    33.02239
   32    30 S   HC   HA32    28     1.09472   107.51876   150.39235
   33    29 S   CT   _C12    36     1.83078    99.30350   -80.04973
   34    33 S   HC   _H18    37     1.09524   106.54680   -83.03859
   35    33 S   HC   _H19    38     1.09360   109.91135    33.45603
   36    30 S   CO3  _C3_    29     1.52905   111.54361   -89.68596
   37    36 S   O2Z  _O31    30     1.26374   115.17739   -64.14792
   38    36 S   O2Z  _O32    31     1.26406   115.34815   114.61909
   39    33 S   CT   _C11    39     1.53538   113.67015   156.22711
   40    39 S   HC   _H4_    40     1.09689   107.10720   179.65395
   41    39 S   CT   _C10    41     1.53000   114.79708   -60.22366
   42    41 S   HC   _H16    42     1.09551   111.18949    66.40550
   43    41 S   HC   _H17    43     1.09764   110.61197  -177.34539
   44    39 S   OH   _O35    69     1.42542   110.87121    63.39559
   45    44 S   HO   _H20    70     0.97240   107.87347    53.20601
   46    41 S   OS   _O34    44     1.43728   111.41992   -53.55935
   47    46 S   CO4  _C9_    45     1.36271   117.24733   -88.04704
   48    47 S   O    _O33    46     1.22412   126.00618     2.48743
   49    47 S   CT1  _C8_    47     1.51644   109.84399  -176.96759
   50    49 S   HC   _H3_    48     1.09568   108.32517    51.24031
   51    49 S   CTQ  _C7_    49     1.53235   112.88626   -71.22278
   52    51 S   HC   _H14    50     1.09408   108.37200    59.50506
   53    51 S   HC   _H15    51     1.09751   108.72188   174.58217
   54    49 S   NP   _N5_    65     1.49453   110.34761   165.48746
   55    54 S   H    _H21    66     1.02888   111.88885    55.91374
   56    54 S   H    _H22    67     1.02912   110.93695   -63.13917
   57    54 S   H    _H23    68     1.02874   111.75240   177.12363
   58    51 S   CT   _C4_    52     1.53615   115.06441   -63.18643
   59    58 S   HC   _H5_    53     1.09588   109.37280   -59.91381
   60    58 S   HC   _H6_    54     1.09612   110.39466    57.57522
   61    58 S   CT   _C5_    55     1.53409   112.74087  -179.53691
   62    61 S   HC   _H7_    56     1.09675   109.57146    50.85511
   63    61 S   HC   _H8_    57     1.09740   108.40511   166.76726
   64    61 S   CT   _C6_    58     1.52174   112.74993   -72.68087
   65    64 S   HC   _H9_    59     1.08979   112.40115    58.65277
   66    64 S   HC   _H10    60     1.09391   111.82708   -64.97080
   67    64 S   NP   _N4_    61     1.48099   109.44872   176.65520
   68    67 S   H    _H11    62     1.02757   112.52451    58.02654
   69    67 S   H    _H12    63     1.03486   111.10085   -62.79921
   70    67 S   H    _H13    64     1.02856   111.14340   179.16303
  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
  10   5   4   2   1   1   8   6   8   4   3   2   1   6  11   4
  12   8  13   6   5   4   2   1   1   9   5   4   9   5   4   6
   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    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    44    45  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    46    47    44    45  
   41    42    43    46    44    45  
   42    43    46    47    48    49    44    45  
   43    46    47    44  
   46    47    44  
   45    46  
    0  
   47    48    49    50    51    54  
   48    49    50    51    52    53    58    54    55    56    57  
   49    50    51    54  
   50    51    52    53    58    59    60    61    54    55    56    57  
   51    52    53    58    54    55    56    57  
   52    53    58    59    60    61    62    63    64    54    55    56    57  
   53    58    59    60    61    54  
   58    59    60    61    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    66    67  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    67    68    69    70  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   55   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   56   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   57   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   68   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   69   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    44   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    47   214.000  1.327
   47    48   570.000  1.229
   47    49   255.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   367.000  1.471
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   367.000  1.471
   67    68   434.000  1.010
   67    69   434.000  1.010
   67    70   434.000  1.010
   54    55   434.000  1.010
   54    56   434.000  1.010
   54    57   434.000  1.010
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    44    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    46    50.00000  109.50000
   39    44    45    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    46    47    83.00000  116.90000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    47    48    83.00000  123.40000
   46    47    49    90.00000  109.72300
   47    49    50    45.00000  110.09800
   47    49    51    63.00000  111.10000
   47    49    54    85.00000  107.27000
   49    47    48    75.00000  123.42600
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    58    58.35000  112.70000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    57    35.00000  109.50000
   51    49    50    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    80.00000  111.20000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   69    67    68    35.00000  109.50000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   54    49    50    35.00000  109.50000
   54    49    51    80.00000  111.20000
   56    54    55    35.00000  109.50000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   44    39    40    35.00000  109.50000
   44    39    41    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    46   0.62750  1.0 1.0
   33    39    41    46  -0.30950 -1.0 2.0
   33    39    41    46   0.27300  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    41    46    47  -0.25900  1.0 1.0
   39    41    46    47  -0.47000 -1.0 2.0
   39    41    46    47   0.11750  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45  -0.11600  1.0 1.0
   41    39    44    45  -0.09450 -1.0 2.0
   41    39    44    45   0.21250  1.0 3.0
   41    46    47    48   3.00000 -1.0 2.0
   41    46    47    49   1.63150  1.0 1.0
   41    46    47    49   2.92000 -1.0 2.0
   42    41    46    47   0.08050  1.0 3.0
   43    41    46    47   0.08050  1.0 3.0
   46    47    49    50   0.00000  1.0 1.0
   46    47    49    51   0.36750  1.0 3.0
   46    47    49    54   0.40000  1.0 3.0
   47    49    51    52  -0.03800  1.0 3.0
   47    49    51    53  -0.03800  1.0 3.0
   47    49    51    58  -1.11750  1.0 1.0
   47    49    51    58  -0.26800 -1.0 2.0
   47    49    54    55   0.17350  1.0 3.0
   47    49    54    56   0.17350  1.0 3.0
   47    49    54    57   0.17350  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    54   0.00000  1.0 1.0
   49    51    58    59   0.15000  1.0 3.0
   49    51    58    60   0.15000  1.0 3.0
   49    51    58    61   0.65000  1.0 1.0
   49    51    58    61  -0.02500 -1.0 2.0
   49    51    58    61   0.10000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    58   0.15000  1.0 3.0
   50    49    54    55   0.13050  1.0 3.0
   50    49    54    56   0.13050  1.0 3.0
   50    49    54    57   0.13050  1.0 3.0
   51    49    54    55   0.17350  1.0 3.0
   51    49    54    56   0.17350  1.0 3.0
   51    49    54    57   0.17350  1.0 3.0
   51    58    61    62   0.15000  1.0 3.0
   51    58    61    63   0.15000  1.0 3.0
   51    58    61    64   0.65000  1.0 1.0
   51    58    61    64  -0.02500 -1.0 2.0
   51    58    61    64   0.10000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    61   0.15000  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    67   1.36600  1.0 1.0
   58    61    64    67  -0.11450 -1.0 2.0
   58    61    64    67   0.24250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    64    67    68   0.17350  1.0 3.0
   61    64    67    69   0.17350  1.0 3.0
   61    64    67    70   0.17350  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.19200  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.19200  1.0 3.0
   65    64    67    68   0.13050  1.0 3.0
   65    64    67    69   0.13050  1.0 3.0
   65    64    67    70   0.13050  1.0 3.0
   66    64    67    68   0.13050  1.0 3.0
   66    64    67    69   0.13050  1.0 3.0
   66    64    67    70   0.13050  1.0 3.0
   54    49    51    52   0.23200  1.0 3.0
   54    49    51    53   0.23200  1.0 3.0
   54    49    51    58   0.31950  1.0 1.0
   54    49    51    58  -0.10700 -1.0 2.0
   54    49    51    58   0.19950  1.0 3.0
   44    39    41    42   0.23400  1.0 3.0
   44    39    41    43   0.23400  1.0 3.0
   44    39    41    46   3.69350  1.0 1.0
   44    39    41    46  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   46    49    47    48  10.50000 -1.0 2.0
END
