* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    110    158     318
    1     0 S   NP   _N1_     1    28.73071    95.73031   -23.38290
    2     1 S   H    _HN1     2     1.02785   104.50816   -91.96803
    3     1 S   H    _H1_     3     1.02951    76.54779    13.85465
    4     1 S   H    _H2_     4     1.02829    33.95807   167.44029
    5     1 S   CT   _CA1     5     1.50112   137.16988   119.47552
    6     5 S   HC   _HA1     6     1.09573   105.20331    85.56009
    7     5 S   CO3  _C1_     7     1.53796   112.46072   -34.68403
    8     7 S   O2Z  _O11     8     1.26373   115.00722   -42.42436
    9     7 S   O2Z  _O12     9     1.26242   114.95152   136.73140
   10     5 S   CT   _CB1    10     1.53084   107.42328  -156.44691
   11    10 S   HC   HB11    11     1.09832   109.39038   -49.70146
   12    10 S   HC   HB12    12     1.09814   110.43402    66.91024
   13    10 S   CT   _CG1    13     1.52986   112.60186  -170.68785
   14    13 S   HC   HG11    14     1.09586   110.60503   -65.14009
   15    13 S   HC   HG12    15     1.09669   109.81349    54.08942
   16    13 S   C    _CD1    16     1.51799   112.26880   174.54763
   17    16 S   O    _OE1    17     1.22726   123.30507     5.56571
   18    16 S   N    _N2_    18     1.38651   111.63471  -174.52994
   19    18 S   H    _HN2    19     1.01580   118.93047     1.93178
   20    18 S   CT1  _CA2    20     1.46201   123.41324   178.01308
   21    20 S   HC   _HA2    21     1.09735   109.37641     1.99007
   22    20 S   C    _C2_    22     1.53529   108.64434  -113.52862
   23    22 S   O    _O2_    23     1.23059   122.27569  -148.04986
   24    20 S   CT   _CB2    32     1.53335   111.50141   124.00043
   25    24 S   HC   HB21    33     1.09479   109.92589    56.35986
   26    24 S   HC   HB22    34     1.09517   110.19850   175.35417
   27    22 S   N    _N3_    24     1.38326   113.70473    39.40832
   28    27 S   H    _HN3    25     1.01590   119.58587    -3.35917
   29    24 S   S    _SG2    35     1.82743   111.44252   -65.02502
   30    27 S   CT   _CA3    26     1.45289   123.19541   177.09141
   31    30 S   HC   HA31    27     1.09549   107.51057   -64.47320
   32    30 S   HC   HA32    28     1.09557   107.98014    51.95918
   33    29 S   CT   _C7_    36     1.84569    99.65831   179.66312
   34    33 S   HC   _H3_    37     1.09611   106.75708    40.01618
   35    30 S   CO3  _C3_    29     1.52955   114.09301   173.95487
   36    35 S   O2Z  _O31    30     1.26374   116.06827    -0.73008
   37    35 S   O2Z  _O32    31     1.26429   114.41110   179.33119
   38    33 S   CT   _C6_    38     1.53511   110.91874   -78.84430
   39    38 S   HC   _H10    39     1.09889   108.29799   167.26168
   40    38 S   HC   _H11    40     1.09556   111.58691    51.30508
   41    38 S   CT   _C5_    41     1.53249   112.90367   -72.72937
   42    41 S   HC   _H8_    42     1.09727   110.32821    68.40766
   43    41 S   HC   _H9_    43     1.09712   107.81593  -175.23671
   44    41 S   NT   _N4_    44     1.46823   111.17592   -55.26482
   45    44 S   CT   _C9_    45     1.47016   111.54658    58.38245
   46    45 S   HC   _H12    46     1.09814   109.11724  -178.27990
   47    45 S   HC   _H13    47     1.09810   110.97032    64.80892
   48    44 S   CT   _C4_    57     1.46298   110.47772  -178.29234
   49    48 S   HC   _H5_    58     1.09568   110.57263   176.89209
   50    48 S   HC   _H6_    59     1.09569   110.56823    59.07561
   51    48 S   HC   _H7_    60     1.09603   112.19203   -62.01481
   52    33 S   CT   _C8_    48     1.54321   112.07050   159.12954
   53    52 S   HC   _H4_    49     1.10095   108.11778  -171.01349
   54    52 S   CO4  _C10    50     1.52257   112.94694   -54.87026
   55    54 S   O    _O33    51     1.22403   124.85522   120.47489
   56    54 S   OS   _O34    52     1.36598   109.66374   -60.76721
   57    56 S   CT   _C11    53     1.43041   115.25050   179.91377
   58    57 S   HC   _H14    54     1.09327   108.10022  -179.17481
   59    57 S   HC   _H15    55     1.09417   110.27032    62.13447
   60    57 S   HC   _H16    56     1.09426   110.30708   -60.50282
  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
  16   8   2   1   1  11   6   5  11   4   3  10  11   5   4   4
   2   1   1   5   3   6   2   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    52    53    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    47    52    53    54    55    56  
   38    39    40    41    45    52    53    54  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    52    53    54    48  
   40    41    42    43    44    52  
   41    42    43    44    52  
   42    43    44    45    46    47    52    48    49    50    51  
   43    44    45    48  
   44    45    48  
   45    46    47    52    53    54    48    49    50    51  
   46    47    52    53    54    55    56    48    49    50    51  
   47    52    53    54    48  
   52    53    54    48  
   49    50    51    52  
   50    51  
   51  
    0  
   53    54    55    56    57  
   54    55    56  
   55    56    57    58    59    60  
   56    57  
   57    58    59    60  
   58    59    60  
   59    60  
   60  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   45   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   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    52   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   382.000  1.448
   44    45   382.000  1.448
   44    48   382.000  1.448
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   268.000  1.529
   52    53   340.000  1.090
   52    54   317.000  1.522
   54    55   570.000  1.229
   54    56   214.000  1.327
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    52    45    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    54    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    56.20000  109.47000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    51.80000  107.20000
   41    44    48    51.80000  107.20000
   43    41    42    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    35.00000  109.50000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    52    56.20000  109.47000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   45    52    53    37.50000  110.70000
   45    52    54    63.00000  111.10000
   47    45    46    33.00000  107.80000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    45    46    37.50000  110.70000
   52    45    47    37.50000  110.70000
   52    54    55    80.00000  120.40000
   52    54    56    81.00000  111.40000
   54    52    53    35.00000  109.50000
   54    56    57    83.00000  116.90000
   56    54    55    83.00000  123.40000
   56    57    58    35.00000  109.50000
   56    57    59    35.00000  109.50000
   56    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   48    44    45    51.80000  107.20000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    52    45   0.44750  1.0 1.0
   29    33    52    45  -0.17800 -1.0 2.0
   29    33    52    45   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.56750  1.0 1.0
   29    33    52    54  -0.07550 -1.0 2.0
   29    33    52    54   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   1.53400  1.0 1.0
   33    38    41    44  -0.09950 -1.0 2.0
   33    38    41    44   0.05700  1.0 3.0
   33    52    54    55   0.30150 -1.0 2.0
   33    52    54    56   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    52    45   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    54  -0.11250  1.0 3.0
   38    33    52    45   0.56750  1.0 1.0
   38    33    52    45  -0.07550 -1.0 2.0
   38    33    52    45   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    54  -0.95700  1.0 1.0
   38    33    52    54  -0.18200 -1.0 2.0
   38    33    52    54   0.29450  1.0 3.0
   38    41   -44    45   0.23450  1.0 1.0
   38    41   -44    45   0.02050 -1.0 2.0
   38    41   -44    45   0.25250  1.0 3.0
   38    41    44    48   0.58650  1.0 1.0
   38    41    44    48   0.12600 -1.0 2.0
   38    41    44    48   0.33350  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    45    46   0.28000  1.0 3.0
   41    44    45    47   0.28000  1.0 3.0
   41    44    45    52   0.23450  1.0 1.0
   41    44    45    52   0.02050 -1.0 2.0
   41    44    45    52   0.25250  1.0 3.0
   41    44    48    49   0.28000  1.0 3.0
   41    44    48    50   0.28000  1.0 3.0
   41    44    48    51   0.28000  1.0 3.0
   42    41    44    45   0.28000  1.0 3.0
   42    41    44    48   0.28000  1.0 3.0
   43    41    44    45   0.28000  1.0 3.0
   43    41    44    48   0.28000  1.0 3.0
   44    45   -52    33   1.53400  1.0 1.0
   44    45   -52    33  -0.09950 -1.0 2.0
   44    45   -52    33   0.05700  1.0 3.0
   44    45    52    53   0.15000  1.0 3.0
   44    45    52    54  -3.56550  1.0 1.0
   44    45    52    54  -0.67500 -1.0 2.0
   44    45    52    54   1.11300  1.0 3.0
   45    44    48    49   0.28000  1.0 3.0
   45    44    48    50   0.28000  1.0 3.0
   45    44    48    51   0.28000  1.0 3.0
   45    52    54    55   0.30150 -1.0 2.0
   45    52    54    56   0.36750  1.0 3.0
   46    45    52    33   0.15000  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54  -0.11250  1.0 3.0
   47    45    52    33   0.15000  1.0 3.0
   47    45    52    53   0.15000  1.0 3.0
   47    45    52    54  -0.11250  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    40   0.15000  1.0 3.0
   52    33   -38    41   0.56750  1.0 1.0
   52    33   -38    41  -0.07550 -1.0 2.0
   52    33   -38    41   0.20000  1.0 3.0
   52    54    56    57   1.63150  1.0 1.0
   52    54    56    57   2.92000 -1.0 2.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   54    56    57    58   0.08050  1.0 3.0
   54    56    57    59   0.08050  1.0 3.0
   54    56    57    60   0.08050  1.0 3.0
   55    54    56    57   3.00000 -1.0 2.0
   48    44    45    46   0.28000  1.0 3.0
   48    44    45    47   0.28000  1.0 3.0
   48    44    45    52   0.58650  1.0 1.0
   48    44    45    52   0.12600 -1.0 2.0
   48    44    45    52   0.33350  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
   52    56    54    55  10.50000 -1.0 2.0
END
