* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    140    221     418
    1     0 S   NP   _N1_     1    28.61237    94.50102   -22.01025
    2     1 S   H    _HN1     2     1.02835    27.54508   165.07932
    3     1 S   H    _H1_     3     1.02776    95.53632   -76.08331
    4     1 S   H    _H2_     4     1.02963    88.60093    32.19850
    5     1 S   CT   _CA1     5     1.50123   137.77135   151.62985
    6     5 S   HC   _HA1     6     1.09576   105.23128    65.71367
    7     5 S   CO3  _C1_     7     1.53797   112.39204   -54.46924
    8     7 S   O2Z  _O11     8     1.26358   115.00527   -43.42016
    9     7 S   O2Z  _O12     9     1.26245   114.92144   135.74653
   10     5 S   CT   _CB1    10     1.53098   107.41722  -176.39870
   11    10 S   HC   HB11    11     1.09823   109.32209   -50.94248
   12    10 S   HC   HB12    12     1.09822   110.40530    65.59947
   13    10 S   CT   _CG1    13     1.53003   112.69115  -172.08106
   14    13 S   HC   HG11    14     1.09602   110.37095   -63.46737
   15    13 S   HC   HG12    15     1.09647   110.04729    55.74681
   16    13 S   C    _CD1    16     1.51821   112.33661   176.06304
   17    16 S   O    _OE1    17     1.22719   123.25892    -4.92903
   18    16 S   N    _N2_    18     1.38612   111.59761   175.41802
   19    18 S   H    _HN2    19     1.01574   119.01759     1.35277
   20    18 S   CT1  _CA2    20     1.46261   123.46851  -178.85465
   21    20 S   HC   _HA2    21     1.09737   109.45610    -8.52800
   22    20 S   C    _C2_    22     1.53433   108.18070  -124.16103
   23    22 S   O    _O2_    23     1.23005   122.32239  -144.40476
   24    20 S   CT   _CB2    32     1.53594   111.34209   113.55749
   25    24 S   HC   HB21    33     1.09305   109.16952    56.40955
   26    24 S   HC   HB22    34     1.09483   109.76694   175.04947
   27    22 S   N    _N3_    24     1.38543   113.35833    42.86684
   28    27 S   H    _HN3    25     1.01513   118.92665    -0.47147
   29    24 S   S    _SG2    35     1.83094   110.97378   -65.75816
   30    27 S   CT   _CA3    26     1.45440   123.40039   175.18033
   31    30 S   HC   HA31    27     1.09525   109.20559    25.29863
   32    30 S   HC   HA32    28     1.09495   107.13693   142.29059
   33    29 S   CT   _C14    36     1.88885   103.74175   165.89192
   34    30 S   CO3  _C3_    29     1.52920   113.10680   -98.15718
   35    34 S   O2Z  _O31    30     1.26402   115.39304   -45.07253
   36    34 S   O2Z  _O32    31     1.26354   114.99174   135.86502
   37    33 S   CM   _C4_    37     1.52306   108.55821    44.79940
   38    37 S   HC   _H19    38     1.09161   115.59724   -69.60005
   39    33 S   CT   _C18    70     1.55978   106.68158   -69.13607
   40    39 S   HC   _H38    71     1.09681   110.62367   174.97204
   41    39 S   HC   _H39    72     1.09505   112.15665    57.93059
   42    37 S   CMA  _C5_    39     1.34833   128.26876   113.24241
   43    42 S   OM   _O16    40     1.26212   129.21207   177.52425
   44    39 S   OH   _O17    73     1.42080   113.22839   -63.64092
   45    44 S   HO   _H40    74     0.97223   107.21528  -179.29863
   46    42 S   CT   _C8_    41     1.51837   119.45442    -2.66594
   47    46 S   HC   _H22    42     1.09910   108.78011   104.46035
   48    46 S   HC   _H23    43     1.10118   110.79306  -140.34731
   49    46 S   CT   _C13    44     1.54361   114.63526   -18.03176
   50    49 S   HC   _H31    45     1.09681   105.87710   165.94161
   51    33 S   CT   _C15    46     1.60165   109.41913   166.77988
   52    49 S   CT   _C17    66     1.53818   109.12448   -82.12641
   53    52 S   HC   _H35    67     1.09248   112.79017    55.54120
   54    52 S   HC   _H36    68     1.09693   109.64370   -62.72384
   55    52 S   HC   _H37    69     1.09204   112.40383   179.24308
   56    51 S   CT   _C10    47     1.56357   112.49433   154.26121
   57    56 S   HC   _H26    48     1.09259   114.23833    73.15206
   58    56 S   HC   _H27    49     1.09428   111.66155   -47.96450
   59    56 S   CT   _C9_    50     1.52899   106.12577  -163.21426
   60    59 S   HC   _H24    51     1.09484   111.06137   151.50486
   61    59 S   HC   _H25    52     1.09668   110.16025   -91.01345
   62    59 S   CT   _C12    53     1.53761   105.46210    27.49639
   63    62 S   HC   _H30    54     1.09956   106.85963  -115.19025
   64    51 S   CT   _C11    55     1.55781   115.38234    42.75419
   65    64 S   HC   _H28    56     1.09193   110.53029    40.29161
   66    64 S   HC   _H29    57     1.09334   113.87805   -78.79339
   67    62 S   CM   _C7_    58     1.51735   114.19627   125.16639
   68    67 S   CM   _C6_    59     1.34357   120.76106   116.49783
   69    68 S   HC   _H20    60     1.08517   121.46628  -179.83098
   70    68 S   HC   _H21    61     1.08506   121.55973     0.29275
   71    67 S   CT   _C16    62     1.50535   118.90083   -62.95931
   72    71 S   HC   _H32    63     1.09378   110.91089   -68.92887
   73    71 S   HC   _H33    64     1.09373   111.16716    51.95113
   74    71 S   HC   _H34    65     1.09574   111.80515   171.51272
  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  12   5   4   3
  22   2   1   1  14   5   9   4   3   8   4   2   1  11   5   4
  14   7  16   5   2   1   1  11   6   5  10   5   4  12   6   5
   2   1   7   6   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    49    51    56    64    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    49    50    51    56    57    58    59    62    64    65    66    52    39    40    41    44    45  
   35    36  
   36  
    0  
   38    42    43    46    47    48    49    51    56    64    39    40    41    44  
   42    43    46    51    39  
   40    41    44    45    42    49    51    56    64  
   41    44    45    51  
   44    45    51  
   43    46    47    48    49    50    51    52  
   46    47    48    49  
   45    51  
    0  
   47    48    49    50    51    56    64    52    53    54    55  
   48    49    50    51    52  
   49    50    51    52  
   50    51    56    57    58    59    62    64    65    66    52    53    54    55  
   51    56    64    52    53    54    55  
   56    57    58    59    60    61    62    63    64    65    66    67    52    53    54    55  
   53    54    55    56    64  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63    64    65    66    67  
   58    59    60    61    62    64  
   59    60    61    62    64  
   60    61    62    63    64    65    66    67    68    71  
   61    62    63    64    67  
   62    63    64    67  
   63    64    65    66    67    68    69    70    71    72    73    74  
   64    65    66    67    68    71  
   65    66    67    68    71  
   66    67  
   67  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   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    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   317.000  1.510
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    56   268.000  1.529
   51    64   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    67   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   67    68   549.000  1.340
   67    71   317.000  1.510
   68    69   340.000  1.080
   68    70   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   320.000  1.410
   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    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  112.20000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    51    49    58.35000  112.70000
   33    51    56    58.35000  112.70000
   33    51    64    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    50.00000  109.50000
   37    42    43    65.00000  137.10300
   37    42    46    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    46    47    45.00000  110.52000
   42    46    48    45.00000  110.52000
   42    46    49    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    56    58.35000  112.70000
   49    51    64    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   51    33    37    70.00000  112.02700
   51    49    50    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    58.35000  112.70000
   51    64    62    58.35000  112.70000
   51    64    65    37.50000  110.70000
   51    64    66    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    58.35000  112.70000
   59    62    67    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    67    68    70.00000  124.00000
   62    67    71    65.00000  117.92700
   64    51    56    58.35000  112.70000
   64    62    63    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    70.00000  112.02700
   67    68    69    35.00000  120.00000
   67    68    70    35.00000  120.00000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   70    68    69    35.00000  117.00000
   71    67    68    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    51    58.35000  112.70000
   39    44    45    55.00000  108.50000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    51    49   0.44750  1.0 1.0
   29    33    51    49  -0.17800 -1.0 2.0
   29    33    51    49   0.20200  1.0 3.0
   29    33    51    56   0.44750  1.0 1.0
   29    33    51    56  -0.17800 -1.0 2.0
   29    33    51    56   0.20200  1.0 3.0
   29    33    51    64   0.44750  1.0 1.0
   29    33    51    64  -0.17800 -1.0 2.0
   29    33    51    64   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    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    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    51    56    57   0.15000  1.0 3.0
   33    51    56    58   0.15000  1.0 3.0
   33    51    56    59   0.56750  1.0 1.0
   33    51    56    59  -0.07550 -1.0 2.0
   33    51    56    59   0.20000  1.0 3.0
   33    51    64    62   0.56750  1.0 1.0
   33    51    64    62  -0.07550 -1.0 2.0
   33    51    64    62   0.20000  1.0 3.0
   33    51    64    65   0.15000  1.0 3.0
   33    51    64    66   0.15000  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
   37    33    51    49   0.34400  1.0 1.0
   37    33    51    49   0.09450 -1.0 2.0
   37    33    51    49   0.11100  1.0 3.0
   37    33    51    56   0.34400  1.0 1.0
   37    33    51    56   0.09450 -1.0 2.0
   37    33    51    56   0.11100  1.0 3.0
   37    33    51    64   0.34400  1.0 1.0
   37    33    51    64   0.09450 -1.0 2.0
   37    33    51    64   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   1.05650  1.0 1.0
   37    33    39    44   0.15600 -1.0 2.0
   37    33    39    44   0.53150  1.0 3.0
   37    42    46    47   0.00000  1.0 1.0
   37    42    46    48   0.00000  1.0 1.0
   37    42   -46    49   0.09850  1.0 1.0
   37    42   -46    49   0.15250 -1.0 2.0
   37    42   -46    49  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    49    50   0.15000  1.0 3.0
   42    46    49    51   0.34400  1.0 1.0
   42    46    49    51   0.09450 -1.0 2.0
   42    46    49    51   0.11100  1.0 3.0
   42    46    49    52   0.34400  1.0 1.0
   42    46    49    52   0.09450 -1.0 2.0
   42    46    49    52   0.11100  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    49   0.09700  1.0 1.0
   43    42    46    49   0.15600 -1.0 2.0
   43    42    46    49  -0.50800  1.0 3.0
   46    49   -51    33   0.56750  1.0 1.0
   46    49   -51    33  -0.07550 -1.0 2.0
   46    49   -51    33   0.20000  1.0 3.0
   46    49    51    56   0.56750  1.0 1.0
   46    49    51    56  -0.07550 -1.0 2.0
   46    49    51    56   0.20000  1.0 3.0
   46    49    51    64   0.56750  1.0 1.0
   46    49    51    64  -0.07550 -1.0 2.0
   46    49    51    64   0.20000  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.15000  1.0 3.0
   46    49    52    55   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    51    56    57   0.15000  1.0 3.0
   49    51    56    58   0.15000  1.0 3.0
   49    51    56    59   0.56750  1.0 1.0
   49    51    56    59  -0.07550 -1.0 2.0
   49    51    56    59   0.20000  1.0 3.0
   49    51    64    62   0.56750  1.0 1.0
   49    51    64    62  -0.07550 -1.0 2.0
   49    51    64    62   0.20000  1.0 3.0
   49    51    64    65   0.15000  1.0 3.0
   49    51    64    66   0.15000  1.0 3.0
   50    49    51    33   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    51    64   0.15000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    42   0.09850  1.0 1.0
   51    33   -37    42   0.15250 -1.0 2.0
   51    33   -37    42  -0.50650  1.0 3.0
   51    33    39    40   0.15000  1.0 3.0
   51    33    39    41   0.15000  1.0 3.0
   51    33    39    44   0.86500  1.0 1.0
   51    33    39    44  -0.17500 -1.0 2.0
   51    33    39    44   0.20800  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   51    56    59    60   0.15000  1.0 3.0
   51    56    59    61   0.15000  1.0 3.0
   51    56   -59    62   0.56750  1.0 1.0
   51    56   -59    62  -0.07550 -1.0 2.0
   51    56   -59    62   0.20000  1.0 3.0
   56    51   -64    62   0.56750  1.0 1.0
   56    51   -64    62  -0.07550 -1.0 2.0
   56    51   -64    62   0.20000  1.0 3.0
   56    51    64    65   0.15000  1.0 3.0
   56    51    64    66   0.15000  1.0 3.0
   56    59    62    63   0.15000  1.0 3.0
   56    59   -62    64   0.56750  1.0 1.0
   56    59   -62    64  -0.07550 -1.0 2.0
   56    59   -62    64   0.20000  1.0 3.0
   56    59    62    67   0.34400  1.0 1.0
   56    59    62    67   0.09450 -1.0 2.0
   56    59    62    67   0.11100  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.15000  1.0 3.0
   59    62   -64    51   0.56750  1.0 1.0
   59    62   -64    51  -0.07550 -1.0 2.0
   59    62   -64    51   0.20000  1.0 3.0
   59    62    64    65   0.15000  1.0 3.0
   59    62    64    66   0.15000  1.0 3.0
   59    62    67    68   0.09850  1.0 1.0
   59    62    67    68   0.15250 -1.0 2.0
   59    62    67    68  -0.50650  1.0 3.0
   59    62    67    71   0.46850  1.0 1.0
   59    62    67    71   0.08550 -1.0 2.0
   59    62    67    71   0.09800  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    67   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    67   0.15000  1.0 3.0
   62    67    68    69   7.00000 -1.0 2.0
   62    67    68    70   7.00000 -1.0 2.0
   62    67    71    72   0.34800  1.0 3.0
   62    67    71    73   0.34800  1.0 3.0
   62    67    71    74   0.34800  1.0 3.0
   63    62    64    51   0.15000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    71   0.34800  1.0 3.0
   64    51    56    57   0.15000  1.0 3.0
   64    51    56    58   0.15000  1.0 3.0
   64    51   -56    59   0.56750  1.0 1.0
   64    51   -56    59  -0.07550 -1.0 2.0
   64    51   -56    59   0.20000  1.0 3.0
   64    62    67    68   0.09850  1.0 1.0
   64    62    67    68   0.15250 -1.0 2.0
   64    62    67    68  -0.50650  1.0 3.0
   64    62    67    71   0.46850  1.0 1.0
   64    62    67    71   0.08550 -1.0 2.0
   64    62    67    71   0.09800  1.0 3.0
   67    62    64    51   0.34400  1.0 1.0
   67    62    64    51   0.09450 -1.0 2.0
   67    62    64    51   0.11100  1.0 3.0
   67    62    64    65   0.15000  1.0 3.0
   67    62    64    66   0.15000  1.0 3.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    73   0.00000  1.0 1.0
   68    67    71    74   0.00000  1.0 1.0
   71    67    68    69   7.00000 -1.0 2.0
   71    67    68    70   7.00000 -1.0 2.0
   52    49    51    33   0.56750  1.0 1.0
   52    49    51    33  -0.07550 -1.0 2.0
   52    49    51    33   0.20000  1.0 3.0
   52    49    51    56   0.56750  1.0 1.0
   52    49    51    56  -0.07550 -1.0 2.0
   52    49    51    56   0.20000  1.0 3.0
   52    49    51    64   0.56750  1.0 1.0
   52    49    51    64  -0.07550 -1.0 2.0
   52    49    51    64   0.20000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    51    49   0.56750  1.0 1.0
   39    33    51    49  -0.07550 -1.0 2.0
   39    33    51    49   0.20000  1.0 3.0
   39    33    51    56   0.56750  1.0 1.0
   39    33    51    56  -0.07550 -1.0 2.0
   39    33    51    56   0.20000  1.0 3.0
   39    33    51    64   0.56750  1.0 1.0
   39    33    51    64  -0.07550 -1.0 2.0
   39    33    51    64   0.20000  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45   0.19450  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   62    71    67    68  15.00000 -1.0 2.0
   69    70    68    67  15.00000 -1.0 2.0
END
