* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    131    211     395
    1     0 S   NP   _N1_     1    29.08605    95.21151   -26.42809
    2     1 S   H    _HN1     2     1.02802   125.87214  -102.70923
    3     1 S   H    _H1_     3     1.02946    78.13300     1.50675
    4     1 S   H    _H2_     4     1.02825    30.03027  -163.11007
    5     1 S   CT   _CA1     5     1.50135   115.18194   108.68058
    6     5 S   HC   _HA1     6     1.09574   105.14737    91.58645
    7     5 S   CO3  _C1_     7     1.53753   112.46027   -28.63539
    8     7 S   O2Z  _O11     8     1.26382   114.99897   -42.61122
    9     7 S   O2Z  _O12     9     1.26230   114.94130   136.33787
   10     5 S   CT   _CB1    10     1.53042   107.39685  -150.43281
   11    10 S   HC   HB11    11     1.09850   109.32141   -49.02399
   12    10 S   HC   HB12    12     1.09810   110.48367    67.55389
   13    10 S   CT   _CG1    13     1.53054   112.67359  -169.92303
   14    13 S   HC   HG11    14     1.09557   110.82747   -68.41518
   15    13 S   HC   HG12    15     1.09663   109.63602    50.85277
   16    13 S   C    _CD1    16     1.51816   111.70353   171.42627
   17    16 S   O    _OE1    17     1.22781   123.04461    17.56980
   18    16 S   N    _N2_    18     1.38631   112.02690  -162.47532
   19    18 S   H    _HN2    19     1.01580   119.06601     0.51205
   20    18 S   CT1  _CA2    20     1.46246   123.31462   175.59078
   21    20 S   HC   _HA2    21     1.09738   109.23544     9.22918
   22    20 S   C    _C2_    22     1.53741   108.89775  -106.27496
   23    22 S   O    _O2_    23     1.23087   122.23824  -149.30916
   24    20 S   CT   _CB2    32     1.53281   111.73580   131.21802
   25    24 S   HC   HB21    33     1.09597   110.13362    57.00636
   26    24 S   HC   HB22    34     1.09453   110.06994   176.00316
   27    22 S   N    _N3_    24     1.38308   113.92848    38.17103
   28    27 S   H    _HN3    25     1.01521   119.63409    -3.05544
   29    24 S   S    _SG2    35     1.82657   111.67672   -63.70486
   30    27 S   CT   _CA3    26     1.45269   123.34344   177.34251
   31    30 S   HC   HA31    27     1.09545   107.50167   -65.41080
   32    30 S   HC   HA32    28     1.09554   108.02716    51.06990
   33    29 S   CT   _C16    36     1.85010    99.27681  -178.09834
   34    33 S   HC   _H5_    37     1.09555   107.20836   -17.14280
   35    30 S   CO3  _C3_    29     1.52989   113.99893   173.08746
   36    35 S   O2Z  _O31    30     1.26394   116.09504    -0.16071
   37    35 S   O2Z  _O32    31     1.26425   114.41398   179.89165
   38    33 S   CT   _C15    38     1.53949   108.51924  -136.47244
   39    38 S   HC   _H4_    39     1.09963   109.38402   -52.41250
   40    38 S   CT   _C14    40     1.53572   112.18454  -171.97723
   41    40 S   HC   _H14    41     1.09869   110.29133   174.56693
   42    40 S   HC   _H15    42     1.09846   111.12586   -69.86232
   43    38 S   CO3  _C19    72     1.54290   114.55454    69.81151
   44    43 S   O2Z  _O38    73     1.26276   116.14664    33.05535
   45    43 S   O2Z  _O37    74     1.26477   114.47361  -147.59579
   46    40 S   CT   _C13    43     1.52991   111.68637    53.46511
   47    46 S   HC   _H3_    44     1.09839   108.15114    64.68210
   48    46 S   CT   _C18    45     1.53358   111.35660   -56.14539
   49    48 S   HC   _H7_    46     1.09532   110.25636   177.93058
   50    46 S   OS   _O34    53     1.44290   107.61986  -177.38716
   51    33 S   CT   _C17    47     1.54247   109.31679   101.34992
   52    51 S   HC   _H6_    48     1.09802   109.75673    51.92439
   53    48 S   OH   _O35    51     1.43134   110.47211   -66.39469
   54    53 S   HO   _H16    52     0.97100   109.07038    65.93433
   55    50 S   CO4  _C12    54     1.35902   117.08405  -157.60723
   56    55 S   O    _O33    55     1.22042   127.05824     0.46981
   57    51 S   OH   _O36    49     1.42831   109.91919   -66.19097
   58    57 S   HO   _H17    50     0.97229   107.68996  -177.62562
   59    55 S   CM   _C11    56     1.47966   107.51611  -179.46624
   60    59 S   HC   _H13    57     1.08421   117.69200    -0.36477
   61    59 S   CM   _C10    58     1.34074   119.59471  -179.73905
   62    61 S   HC   _H12    59     1.08799   120.16425     0.82638
   63    61 S   CA   _C9_    60     1.47272   124.46634   179.54458
   64    63 S   CA   _C4_    61     1.40330   122.79323    30.21461
   65    64 S   HA   _H8_    62     1.08717   121.11505    -0.73940
   66    64 S   CA   _C5_    63     1.39726   120.64937   178.66236
   67    66 S   HA   _H9_    64     1.08639   119.79842   179.81025
   68    66 S   CA   _C6_    65     1.39071   119.73273    -0.50629
   69    68 S   CA   _C7_    66     1.39137   120.63930    -0.22555
   70    69 S   HA   _H10    67     1.08602   121.01950  -179.66780
   71    68 S   OH   _O39    70     1.36586   118.23465  -180.00000
   72    71 S   HO   _H18    71     0.97241   108.59421   179.93147
   73    63 S   CA   _C8_    68     1.40409   118.54585  -152.34940
   74    73 S   HA   _H11    69     1.08823   120.54397     1.60010
  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
  17   8   2   1   1  14   8  13   6   5   4   1   1  12   6   9
   6   7   5   3   2   1   6   3   1   1   6   3   8   3   9   8
   4   7   3   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    51    52    57    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    48    49    51    52    57    58    53    43    44    45  
   38    39    40    48    51    52    57    43  
   36    37  
   37  
    0  
   39    40    41    42    46    47    48    51    52    57    50    43    44    45  
   40    41    42    46    51    43    44    45  
   41    42    46    47    48    49    51    53    50    55    43    44    45  
   42    46    47    48    50    43  
   46    47    48    50    43  
   44    45    46    51  
   45  
    0  
   47    48    49    51    52    57    53    54    50    55    56    59  
   48    49    51    53    50    55  
   49    51    52    57    58    53    54    50    55  
   51    52    57    53    54    50  
   55    56    59    60    61    51    53  
   52    57    58    53    54  
   57    58    53  
   54    57  
    0  
   56    59    60    61    62    63  
   59    60    61  
   58  
    0  
   60    61    62    63    64    73  
   61    62    63  
   62    63    64    65    66    69    73    74  
   63    64    73  
   64    65    66    67    68    69    70    73    74  
   65    66    67    68    69    73    74    71  
   66    67    68    73  
   67    68    69    70    73    71    72  
   68    69    71  
   69    70    73    74    71    72  
   70    73    74    71    72  
   73    74    71  
   72    73  
    0  
   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   0.107500   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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   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   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    51   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    53   320.000  1.410
   51    52   340.000  1.090
   51    57   320.000  1.410
   57    58   553.000  0.945
   53    54   553.000  0.945
   50    55   214.000  1.327
   55    56   570.000  1.229
   55    59   320.000  1.462
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   340.000  1.080
   61    63   320.000  1.460
   63    64   469.000  1.400
   63    73   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   469.000  1.400
   68    71   450.000  1.364
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   71    72   553.000  0.945
   43    44   656.000  1.250
   43    45   656.000  1.250
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    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    70.00000  109.69300
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    46    58.35000  112.70000
   38    43    44    70.00000  117.00000
   38    43    45    70.00000  117.00000
   40    38    39    37.50000  110.70000
   40    46    47    37.50000  110.70000
   40    46    48    58.35000  112.70000
   40    46    50    50.00000  109.50000
   42    40    41    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    42    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    51    58.35000  112.70000
   46    48    53    50.00000  109.50000
   46    50    55    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    57    50.00000  109.50000
   48    53    54    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    57    58    55.00000  108.50000
   57    51    52    35.00000  109.50000
   53    48    49    35.00000  109.50000
   53    48    51    50.00000  109.50000
   50    46    47    35.00000  109.50000
   50    46    48    50.00000  109.50000
   50    55    56    83.00000  123.40000
   50    55    59    90.00000  111.29400
   55    59    60    40.00000  117.72500
   55    59    61    65.00000  118.96000
   59    55    56    80.00000  123.72100
   59    61    62    35.00000  120.00000
   59    61    63    60.00000  123.20500
   61    59    60    35.00000  120.00000
   61    63    64    60.00000  120.93500
   61    63    73    60.00000  120.93500
   63    61    62    40.00000  117.26300
   63    64    65    35.00000  120.00000
   63    64    66    63.00000  120.00000
   63    73    69    63.00000  120.00000
   63    73    74    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    63.00000  120.00000
   66    68    71    70.00000  120.00000
   68    66    67    35.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    73    63.00000  120.00000
   68    71    72    35.00000  113.00000
   69    73    74    35.00000  120.00000
   73    63    64    63.00000  120.00000
   73    69    70    35.00000  120.00000
   71    68    69    70.00000  120.00000
   43    38    39    35.00000  109.50000
   43    38    40    70.00000  109.69300
   45    43    44    80.00000  126.00000
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    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
   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    57   0.56750  1.0 1.0
   29    33    51    57  -0.07550 -1.0 2.0
   29    33    51    57   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    46   0.56750  1.0 1.0
   33    38    40    46  -0.07550 -1.0 2.0
   33    38    40    46   0.20000  1.0 3.0
   33    38    43    44   0.41150 -1.0 2.0
   33    38    43    45   0.41150 -1.0 2.0
   33    51    57    58  -0.11600  1.0 1.0
   33    51    57    58  -0.09450 -1.0 2.0
   33    51    57    58   0.21250  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    43  -0.11250  1.0 3.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    57   0.23400  1.0 3.0
   38    33    51    48   0.56750  1.0 1.0
   38    33    51    48  -0.07550 -1.0 2.0
   38    33    51    48   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    57   0.86500  1.0 1.0
   38    33    51    57  -0.17500 -1.0 2.0
   38    33    51    57   0.20800  1.0 3.0
   38    40    46    47   0.15000  1.0 3.0
   38    40   -46    48   0.56750  1.0 1.0
   38    40   -46    48  -0.07550 -1.0 2.0
   38    40   -46    48   0.20000  1.0 3.0
   38    40    46    50   0.62750  1.0 1.0
   38    40    46    50  -0.30950 -1.0 2.0
   38    40    46    50   0.27300  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   40    38    43    44   0.41150 -1.0 2.0
   40    38    43    45   0.41150 -1.0 2.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    51   0.56750  1.0 1.0
   40    46    48    51  -0.07550 -1.0 2.0
   40    46    48    51   0.20000  1.0 3.0
   40    46    48    53   0.86500  1.0 1.0
   40    46    48    53  -0.17500 -1.0 2.0
   40    46    48    53   0.20800  1.0 3.0
   40    46    50    55  -0.25900  1.0 1.0
   40    46    50    55  -0.47000 -1.0 2.0
   40    46    50    55   0.11750  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    50   0.23400  1.0 3.0
   42    40    46    47   0.15000  1.0 3.0
   42    40    46    48   0.15000  1.0 3.0
   42    40    46    50   0.23400  1.0 3.0
   46    48   -51    33   0.56750  1.0 1.0
   46    48   -51    33  -0.07550 -1.0 2.0
   46    48   -51    33   0.20000  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    57   0.86500  1.0 1.0
   46    48    51    57  -0.17500 -1.0 2.0
   46    48    51    57   0.20800  1.0 3.0
   46    48    53    54  -0.11600  1.0 1.0
   46    48    53    54  -0.09450 -1.0 2.0
   46    48    53    54   0.21250  1.0 3.0
   46    50    55    56   3.00000 -1.0 2.0
   46    50    55    59   2.00000 -1.0 2.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    48    53   0.23400  1.0 3.0
   47    46    50    55   0.08050  1.0 3.0
   48    46    50    55  -0.25900  1.0 1.0
   48    46    50    55  -0.47000 -1.0 2.0
   48    46    50    55   0.11750  1.0 3.0
   48    51    57    58  -0.11600  1.0 1.0
   48    51    57    58  -0.09450 -1.0 2.0
   48    51    57    58   0.21250  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    57   0.23400  1.0 3.0
   49    48    53    54   0.19450  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.56750  1.0 1.0
   51    33   -38    40  -0.07550 -1.0 2.0
   51    33   -38    40   0.20000  1.0 3.0
   51    33    38    43  -1.63150  1.0 1.0
   51    33    38    43  -0.43550 -1.0 2.0
   51    33    38    43   0.24500  1.0 3.0
   51    48    53    54  -0.11600  1.0 1.0
   51    48    53    54  -0.09450 -1.0 2.0
   51    48    53    54   0.21250  1.0 3.0
   52    51    57    58   0.19450  1.0 3.0
   53    48    51    33   0.86500  1.0 1.0
   53    48    51    33  -0.17500 -1.0 2.0
   53    48    51    33   0.20800  1.0 3.0
   53    48    51    52   0.23400  1.0 3.0
   53    48    51    57   3.75450  1.0 1.0
   50    46    48    49   0.23400  1.0 3.0
   50    46    48    51   0.62750  1.0 1.0
   50    46    48    51  -0.30950 -1.0 2.0
   50    46    48    51   0.27300  1.0 3.0
   50    46    48    53   3.69350  1.0 1.0
   50    46    48    53  -1.82950 -1.0 2.0
   50    55    59    60   1.63100 -1.0 2.0
   50    55    59    61  -0.56150  1.0 1.0
   50    55    59    61   2.19150 -1.0 2.0
   55    59    61    62   7.00000 -1.0 2.0
   55    59    61    63   7.00000 -1.0 2.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   1.00000 -1.0 2.0
   59    61    63    64   0.15800  1.0 1.0
   59    61    63    64   1.85350 -1.0 2.0
   59    61    63    64  -0.48700  1.0 3.0
   59    61    63    73   0.15800  1.0 1.0
   59    61    63    73   1.85350 -1.0 2.0
   59    61    63    73  -0.48700  1.0 3.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    63   7.00000 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63    64    66   3.62500 -1.0 2.0
   61    63    73    69   3.62500 -1.0 2.0
   61    63    73    74   3.62500 -1.0 2.0
   62    61    63    64   0.56550  1.0 3.0
   62    61    63    73   0.56550  1.0 3.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64    66    68   3.62500 -1.0 2.0
   64    63    73    69   3.62500 -1.0 2.0
   64    63    73    74   3.62500 -1.0 2.0
   64    66   -68    69   3.62500 -1.0 2.0
   64    66    68    71   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    69    70   3.62500 -1.0 2.0
   66    68    69    73   3.62500 -1.0 2.0
   66    68    71    72   0.84100 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    71   3.62500 -1.0 2.0
   68    69   -73    63   3.62500 -1.0 2.0
   68    69    73    74   3.62500 -1.0 2.0
   69    68    71    72   0.84100 -1.0 2.0
   70    69    73    63   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   73    63    64    65   3.62500 -1.0 2.0
   73    63   -64    66   3.62500 -1.0 2.0
   71    68    69    70   3.62500 -1.0 2.0
   71    68    69    73   3.62500 -1.0 2.0
   43    38    40    41  -0.11250  1.0 3.0
   43    38    40    42  -0.11250  1.0 3.0
   43    38    40    46  -1.63150  1.0 1.0
   43    38    40    46  -0.43550 -1.0 2.0
   43    38    40    46   0.24500  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
   50    59    55    56  10.50000 -1.0 2.0
   55    60    59    61  15.00000 -1.0 2.0
   63    62    61    59  15.00000 -1.0 2.0
   64    73    63    61   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   69    71    68    66   4.00000 -1.0 2.0
   73    70    69    68   1.10000 -1.0 2.0
   69    74    73    63   1.10000 -1.0 2.0
   44    38    43    45  10.50000 -1.0 2.0
END
