* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    111    168     331
    1     0 S   NP   _N1_     1    30.90614    99.47647   -21.51817
    2     1 S   H    _HN1     2     1.03488   164.98631  -176.92973
    3     1 S   H    _H1_     3     1.02735    67.72921  -102.56852
    4     1 S   H    _H2_     4     1.02842    62.38379   131.74645
    5     1 S   CT   _CA1     5     1.50614    82.67454    14.38603
    6     5 S   HC   _HA1     6     1.09548   104.24195   117.80521
    7     5 S   CO3  _C1_     7     1.54353   111.81911     2.15377
    8     7 S   O2Z  _O11     8     1.26083   116.65144  -135.64702
    9     7 S   O2Z  _O12     9     1.26636   114.06437    43.86523
   10     5 S   CT   _CB1    10     1.53117   106.73400  -125.80906
   11    10 S   HC   HB11    11     1.09593   109.47014   -36.99722
   12    10 S   HC   HB12    12     1.09798   110.17812    78.41525
   13    10 S   CT   _CG1    13     1.53319   113.10350  -159.55578
   14    13 S   HC   HG11    14     1.09528   110.93703   -95.38875
   15    13 S   HC   HG12    15     1.09607   111.68013    24.06893
   16    13 S   C    _CD1    16     1.51540   109.86970   144.41267
   17    16 S   O    _OE1    17     1.22777   122.17891    98.85307
   18    16 S   N    _N2_    18     1.38409   112.31564   -78.84714
   19    18 S   H    _HN2    19     1.01996   118.80405    -2.26641
   20    18 S   CT1  _CA2    20     1.45895   123.41443   173.00835
   21    20 S   HC   _HA2    21     1.09672   108.81545    28.74374
   22    20 S   C    _C2_    22     1.53209   108.58636   -88.03681
   23    22 S   O    _O2_    23     1.23126   121.05719   151.42095
   24    20 S   CT   _CB2    32     1.53300   111.77722   152.24215
   25    24 S   HC   HB21    33     1.09228   109.52402    60.25595
   26    24 S   HC   HB22    34     1.09537   110.00384   178.10762
   27    22 S   N    _N3_    24     1.38432   114.46970   -36.23197
   28    27 S   H    _HN3    25     1.01666   119.48411     2.17951
   29    24 S   S    _SG2    35     1.82679   111.04210   -62.06164
   30    27 S   CT   _CA3    26     1.45283   123.13100  -177.43723
   31    30 S   HC   HA31    27     1.09562   108.23994   -44.94755
   32    30 S   HC   HA32    28     1.09551   107.17699    71.38904
   33    29 S   CT   _C9_    36     1.86889   101.88643   156.01974
   34    30 S   CO3  _C3_    29     1.53013   114.52444  -167.17360
   35    34 S   O2Z  _O31    30     1.26393   116.40481     3.22057
   36    34 S   O2Z  _O32    31     1.26454   114.35484  -177.04872
   37    33 S   CT   _C4_    37     1.54545   104.92142   175.24527
   38    37 S   HC   _H6_    38     1.09709   111.40668    67.11137
   39    37 S   HC   _H7_    39     1.09714   112.30583   -53.01514
   40    33 S   CT   _C10    54     1.55252   109.67049   -66.47178
   41    40 S   HC   _H8_    55     1.09480   110.92917  -171.76341
   42    40 S   HC   _H9_    56     1.09399   111.38944    70.46639
   43    37 S   CO4  _C5_    40     1.51564   111.15939  -172.29900
   44    43 S   O    _O33    41     1.23100   121.08426  -132.68931
   45    40 S   OS   _O34    57     1.42431   111.51065   -53.43881
   46    43 S   CT   _C6_    42     1.52148   116.73911    51.67285
   47    46 S   HC   _H3_    43     1.09523   109.03438    73.58294
   48    45 S   P2   _P1_    58     1.63167   119.30543   143.36588
   49    48 S   O2Z  _O37    59     1.51078   108.47590   176.04339
   50    48 S   O2Z  _O35    60     1.51223   109.98383   -50.17825
   51    46 S   CT   _C7_    44     1.52841   110.77488   -49.43197
   52    51 S   HC   _H4_    45     1.09621   109.56257   -73.42488
   53    46 S   OH   _O40    52     1.42149   109.16130  -169.22112
   54    53 S   HO   _H13    53     0.97301   107.39892   -58.60527
   55    48 S   OS   _O36    61     1.63000    99.25940    63.79199
   56    55 S   HO   _H10    62     0.97906   116.04959    82.83874
   57    33 S   CT   _C8_    46     1.55472   111.05333    56.25136
   58    57 S   HC   _H5_    47     1.09621   110.54534   -68.21312
   59    51 S   OH   _O39    50     1.43083   108.41300   171.01443
   60    59 S   HO   _H12    51     0.97240   107.67556  -177.69090
   61    57 S   OH   _O38    48     1.43284   111.48276    48.88312
   62    61 S   HO   _H11    49     0.97028   109.44118    60.26815
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  18   2   1   1  15   6   5  12   4   3   9   4   6  10   6   4
   3   2   9   6   3   1   1   1   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    57    58    61    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    46    51    52    57    58    61    62    59    40    41    42    45    48  
   35    36  
   36  
    0  
   38    39    43    44    46    47    51    57    58    61    53    40    41    42    45  
   39    43    44    46    57    40  
   43    44    46    57    40  
   41    42    45    48    49    50    55    43    51    57    58    61  
   42    45    48    57  
   45    48    57  
   44    46    47    51    52    57    59    53    54  
   46    47    51    53  
   48    49    50    55    56    57  
   47    51    52    57    58    61    59    60    53    54  
   51    52    57    59    53    54  
   49    50    55    56  
   50    55    56  
   55    56  
   52    57    58    61    62    59    60    53    54  
   57    58    61    59    60    53  
   54    57    59  
    0  
   56  
    0  
   58    61    62    59    60  
   61    62    59  
   60    61  
    0  
   62  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   49   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   50   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    57   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    46   317.000  1.522
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    53   320.000  1.410
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    59   320.000  1.410
   57    58   340.000  1.090
   57    61   320.000  1.410
   61    62   553.000  0.945
   59    60   553.000  0.945
   53    54   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   320.000  1.410
   45    48   230.000  1.697
   48    49   525.000  1.480
   48    50   525.000  1.480
   48    55   230.000  1.697
   55    56   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    57    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    57    51    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    61    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    50.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    46    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    51    63.00000  111.10000
   43    46    53    90.00000  109.61100
   46    43    44    80.00000  120.40000
   46    51    52    37.50000  110.70000
   46    51    57    58.35000  112.70000
   46    51    59    50.00000  109.50000
   46    53    54    55.00000  108.50000
   51    46    47    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    61    50.00000  109.50000
   51    59    60    55.00000  108.50000
   57    33    37    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    61    62    55.00000  108.50000
   61    57    58    35.00000  109.50000
   59    51    52    35.00000  109.50000
   59    51    57    50.00000  109.50000
   53    46    47    35.00000  109.50000
   53    46    51    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    57    58.35000  112.70000
   40    45    48   100.00000  120.50000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    49   100.00000  108.23000
   45    48    50   100.00000  108.23000
   45    48    55    45.00000  102.60000
   48    55    56    45.00000  108.50000
   50    48    49   140.00000  119.90000
   55    48    49   100.00000  108.23000
   55    48    50   100.00000  108.23000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    57    51   0.44750  1.0 1.0
   29    33    57    51  -0.17800 -1.0 2.0
   29    33    57    51   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61   0.56750  1.0 1.0
   29    33    57    61  -0.07550 -1.0 2.0
   29    33    57    61   0.20000  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    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    46   0.60050  1.0 1.0
   33    37    43    46   0.05600 -1.0 2.0
   33    37    43    46   0.26150  1.0 3.0
   33    57    61    62  -0.11600  1.0 1.0
   33    57    61    62  -0.09450 -1.0 2.0
   33    57    61    62   0.21250  1.0 3.0
   33    40    45    48  -2.65550  1.0 1.0
   33    40    45    48  -0.22350 -1.0 2.0
   33    40    45    48   0.24150  1.0 3.0
   37    33    57    51   0.56750  1.0 1.0
   37    33    57    51  -0.07550 -1.0 2.0
   37    33    57    51   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    61   0.86500  1.0 1.0
   37    33    57    61  -0.17500 -1.0 2.0
   37    33    57    61   0.20800  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    45   0.62750  1.0 1.0
   37    33    40    45  -0.30950 -1.0 2.0
   37    33    40    45   0.27300  1.0 3.0
   37    43    46    47   0.00000  1.0 1.0
   37    43   -46    51   0.60050  1.0 1.0
   37    43   -46    51   0.05600 -1.0 2.0
   37    43   -46    51   0.26150  1.0 3.0
   37    43    46    53   0.55300  1.0 1.0
   37    43    46    53   1.25850 -1.0 2.0
   37    43    46    53  -0.23600  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    46   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    46   0.00000  1.0 1.0
   43    46    51    52  -0.11250  1.0 3.0
   43    46    51    57  -0.95700  1.0 1.0
   43    46    51    57  -0.18200 -1.0 2.0
   43    46    51    57   0.29450  1.0 3.0
   43    46    51    59  -0.09450  1.0 1.0
   43    46    51    59  -1.12950 -1.0 2.0
   43    46    51    59   0.54000  1.0 3.0
   43    46    53    54   0.91850  1.0 1.0
   43    46    53    54   0.57950  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    51   0.30150 -1.0 2.0
   44    43    46    53   0.30150 -1.0 2.0
   46    51   -57    33   0.56750  1.0 1.0
   46    51   -57    33  -0.07550 -1.0 2.0
   46    51   -57    33   0.20000  1.0 3.0
   46    51    57    58   0.15000  1.0 3.0
   46    51    57    61   0.86500  1.0 1.0
   46    51    57    61  -0.17500 -1.0 2.0
   46    51    57    61   0.20800  1.0 3.0
   46    51    59    60  -0.11600  1.0 1.0
   46    51    59    60  -0.09450 -1.0 2.0
   46    51    59    60   0.21250  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    57   0.15000  1.0 3.0
   47    46    51    59   0.23400  1.0 3.0
   47    46    53    54   0.19450  1.0 3.0
   51    46    53    54  -0.11600  1.0 1.0
   51    46    53    54  -0.09450 -1.0 2.0
   51    46    53    54   0.21250  1.0 3.0
   51    57    61    62  -0.11600  1.0 1.0
   51    57    61    62  -0.09450 -1.0 2.0
   51    57    61    62   0.21250  1.0 3.0
   52    51    57    33   0.15000  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    61   0.23400  1.0 3.0
   52    51    59    60   0.19450  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33    37    39   0.15000  1.0 3.0
   57    33   -37    43  -0.95700  1.0 1.0
   57    33   -37    43  -0.18200 -1.0 2.0
   57    33   -37    43   0.29450  1.0 3.0
   57    33    40    41   0.15000  1.0 3.0
   57    33    40    42   0.15000  1.0 3.0
   57    33    40    45   0.62750  1.0 1.0
   57    33    40    45  -0.30950 -1.0 2.0
   57    33    40    45   0.27300  1.0 3.0
   57    51    59    60  -0.11600  1.0 1.0
   57    51    59    60  -0.09450 -1.0 2.0
   57    51    59    60   0.21250  1.0 3.0
   58    57    61    62   0.19450  1.0 3.0
   59    51    57    33   0.86500  1.0 1.0
   59    51    57    33  -0.17500 -1.0 2.0
   59    51    57    33   0.20800  1.0 3.0
   59    51    57    58   0.23400  1.0 3.0
   59    51    57    61   3.75450  1.0 1.0
   53    46    51    52   0.23400  1.0 3.0
   53    46    51    57   0.86500  1.0 1.0
   53    46    51    57  -0.17500 -1.0 2.0
   53    46    51    57   0.20800  1.0 3.0
   53    46    51    59   3.75450  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    57    51   0.56750  1.0 1.0
   40    33    57    51  -0.07550 -1.0 2.0
   40    33    57    51   0.20000  1.0 3.0
   40    33    57    58   0.15000  1.0 3.0
   40    33    57    61   0.86500  1.0 1.0
   40    33    57    61  -0.17500 -1.0 2.0
   40    33    57    61   0.20800  1.0 3.0
   40    45    48    49   0.00000  1.0 1.0
   40    45    48    50   0.00000  1.0 1.0
   40    45    48    55   0.05050  1.0 1.0
   40    45    48    55  -1.30700 -1.0 2.0
   40    45    48    55   0.91550  1.0 3.0
   41    40    45    48   0.03000  1.0 3.0
   42    40    45    48   0.03000  1.0 3.0
   45    48    55    56   0.00000  1.0 1.0
   49    48    55    56   0.00000  1.0 1.0
   50    48    55    56   0.00000  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    46    43    44  10.50000 -1.0 2.0
END
