* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    137    206     401
    1     0 S   NP   _N1_     1    29.48917    97.10387   -18.52920
    2     1 S   H    _HN1     2     1.02778    71.41131   -80.24714
    3     1 S   H    _H1_     3     1.02953    82.32381    32.11697
    4     1 S   H    _H2_     4     1.02829    54.10891   149.70143
    5     1 S   CT   _CA1     5     1.50119   163.59161   174.07487
    6     5 S   HC   _HA1     6     1.09568   105.22637    38.28873
    7     5 S   CO3  _C1_     7     1.53781   112.37349   -81.98067
    8     7 S   O2Z  _O11     8     1.26368   115.00120   -43.05870
    9     7 S   O2Z  _O12     9     1.26228   114.98582   136.16335
   10     5 S   CT   _CB1    10     1.53095   107.41869   156.30585
   11    10 S   HC   HB11    11     1.09823   109.41460   -49.30402
   12    10 S   HC   HB12    12     1.09822   110.42795    67.32751
   13    10 S   CT   _CG1    13     1.52968   112.61295  -170.32740
   14    13 S   HC   HG11    14     1.09530   110.48944   -63.30868
   15    13 S   HC   HG12    15     1.09656   109.97013    55.86698
   16    13 S   C    _CD1    16     1.51796   112.32230   176.16973
   17    16 S   O    _OE1    17     1.22720   123.30518    -2.20709
   18    16 S   N    _N2_    18     1.38610   111.59227   177.98287
   19    18 S   H    _HN2    19     1.01604   118.94762     1.05090
   20    18 S   CT1  _CA2    20     1.46241   123.44668   179.27449
   21    20 S   HC   _HA2    21     1.09738   109.40174    -9.39984
   22    20 S   C    _C2_    22     1.53410   108.25785  -124.86814
   23    22 S   O    _O2_    23     1.23025   122.40968  -147.39960
   24    20 S   CT   _CB2    32     1.53497   111.40799   112.81291
   25    24 S   HC   HB21    33     1.09225   109.32917    55.58317
   26    24 S   HC   HB22    34     1.09456   110.03749   173.93647
   27    22 S   N    _N3_    24     1.38376   113.44466    40.08086
   28    27 S   H    _HN3    25     1.01643   119.50103    -3.62590
   29    24 S   S    _SG2    35     1.82996   110.99688   -67.09466
   30    27 S   CT   _CA3    26     1.45287   123.12082   176.97075
   31    30 S   HC   HA31    27     1.09552   107.53821   -63.51703
   32    30 S   HC   HA32    28     1.09558   107.93001    52.88509
   33    29 S   CT   _C15    36     1.88192   102.69288   155.11398
   34    30 S   CO3  _C3_    29     1.52933   114.14264   174.86378
   35    34 S   O2Z  _O31    30     1.26364   116.05974    -0.61102
   36    34 S   O2Z  _O32    31     1.26430   114.40998   179.44117
   37    33 S   CT   _C10    37     1.56766   112.35897   -60.00352
   38    37 S   HC   _H23    38     1.09452   107.87814  -174.75768
   39    37 S   HC   _H24    39     1.09562   109.88177    70.70553
   40    33 S   CT   _C14    55     1.56061   109.31442   172.05979
   41    40 S   HC   _H30    56     1.09729   109.15149   170.20377
   42    37 S   CM   _C5_    40     1.50319   116.04782   -51.70785
   43    42 S   HC   _H20    41     1.08825   114.58021    47.14235
   44    40 S   OS   _O17    57     1.44924   104.04996   -78.33170
   45    42 S   CM   _C7_    42     1.34935   128.75334  -125.72744
   46    44 S   CO4  _C8_    58     1.36277   110.39555   -24.69425
   47    46 S   O    _O16    59     1.22138   124.43502  -175.27988
   48    45 S   CT   _C11    43     1.52429   117.96729   162.39363
   49    48 S   HC   _H25    44     1.09725   109.87348    34.40185
   50    48 S   HC   _H26    45     1.09640   110.42588   150.68311
   51    33 S   CT   _C13    60     1.55353   107.80592    64.33624
   52    51 S   HC   _H29    61     1.09362   112.24782   -34.56818
   53    45 S   CT   _C17    70     1.50001   126.02217   -10.63343
   54    53 S   HC   _H34    71     1.09368   110.83466   115.48955
   55    53 S   HC   _H35    72     1.09228   113.22724    -6.07586
   56    53 S   HC   _H36    73     1.09536   109.66422  -125.32330
   57    48 S   CT   _C9_    46     1.55004   111.64908   -86.65059
   58    57 S   HC   _H21    47     1.09349   109.15455   -76.43072
   59    57 S   HC   _H22    48     1.09575   109.59552   167.79943
   60    51 S   CT   _C18    62     1.52822   116.51389  -160.04757
   61    60 S   HC   _H37    63     1.09504   112.11888   -53.55593
   62    60 S   HC   _H38    64     1.09610   110.49019  -172.74877
   63    60 S   HC   _H39    65     1.09425   111.19836    68.17779
   64    57 S   CM   _C4_    49     1.51179   110.65819    47.46765
   65    64 S   HC   _H19    50     1.08966   114.23328    69.69906
   66    64 S   CM   _C6_    51     1.34933   125.95733   -97.22936
   67    66 S   CT   _C12    52     1.51407   120.18485   161.23461
   68    67 S   HC   _H27    53     1.09510   111.33121    17.28101
   69    67 S   HC   _H28    54     1.09965   107.43700   129.70038
   70    66 S   CT   _C16    66     1.50573   124.60551   -15.37758
   71    70 S   HC   _H31    67     1.09343   111.01616   104.94058
   72    70 S   HC   _H32    68     1.09227   113.15027   -16.85367
   73    70 S   HC   _H33    69     1.09561   109.95688  -135.39458
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  21   2   1   1  15   6   5  14   7  11   3   9  11   8   3  12
   6   5   6   4   4   2   1   1   7   4   3   3   2   1   1   9
   3   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    40    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    67    40    41    44    46    51    52    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    45    66    67    68    69    40    41    44    46    47    51    52    60    61    62    63  
   35    36  
   36  
    0  
   38    39    42    43    45    48    67    40    41    44    46    51    52    60    53  
   39    42    43    45    40    51  
   42    43    45    40    51  
   41    44    46    47    51    52    60    70    42    64    66    67    68    69  
   44    46    51    66    67    68    69  
   43    45    48    49    50    57    51    53    54    55    56  
   45    48    53  
   46    47    51    52    60    66    67    68    69  
   48    49    50    57    58    59    64    53    54    55    56  
   47    51    52    60    61    62    63    67  
   51    52    60  
   49    50    57    58    59    64    65    66    53    54    55    56  
   50    57    58    59    64    53  
   57    58    59    64    53  
   52    60    61    62    63    67  
   60    61    62    63  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    64    65    66    67    70  
   59    64    65    66  
   64    65    66  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    72    73  
   66    67    70  
   67    68    69    70    71    72    73  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    51   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.510
   42    43   340.000  1.080
   42    45   549.000  1.340
   45    48   317.000  1.510
   45    53   317.000  1.510
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   317.000  1.510
   64    65   340.000  1.080
   64    66   549.000  1.340
   66    67   317.000  1.510
   66    70   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    40   268.000  1.529
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    46   214.000  1.327
   46    47   570.000  1.229
   46    51   317.000  1.522
   51    52   340.000  1.090
   51    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    70.00000  112.02700
   33    40    67    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   33    51    46    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    60    58.35000  112.70000
   37    42    43    35.00000  117.00000
   37    42    45    70.00000  124.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    45    48    70.00000  124.00000
   42    45    53    70.00000  124.00000
   45    42    43    35.00000  120.00000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    57    70.00000  112.02700
   45    53    54    35.00000  109.50000
   45    53    55    35.00000  109.50000
   45    53    56    35.00000  109.50000
   48    57    58    37.50000  110.70000
   48    57    59    37.50000  110.70000
   48    57    64    70.00000  112.02700
   50    48    49    33.00000  107.80000
   57    48    49    37.50000  110.70000
   57    48    50    37.50000  110.70000
   57    64    65    35.00000  117.00000
   57    64    66    70.00000  124.00000
   59    57    58    33.00000  107.80000
   64    57    58    35.00000  109.50000
   64    57    59    35.00000  109.50000
   64    66    67    70.00000  124.00000
   64    66    70    70.00000  124.00000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  109.50000
   66    67    69    35.00000  109.50000
   66    67    40    70.00000  112.02700
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   67    40    41    37.50000  110.70000
   67    40    44    50.00000  109.50000
   69    67    68    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    67    68    37.50000  110.70000
   40    67    69    37.50000  110.70000
   40    44    46    83.00000  116.90000
   44    40    41    35.00000  109.50000
   44    46    47    83.00000  123.40000
   44    46    51    81.00000  111.40000
   46    51    52    35.00000  109.50000
   46    51    60    63.00000  111.10000
   51    33    37    58.35000  112.70000
   51    33    40    58.35000  112.70000
   51    46    47    80.00000  120.40000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    63    37.50000  110.70000
   60    51    52    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   70    66    67    65.00000  117.92700
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   53    45    48    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    40    67   0.44750  1.0 1.0
   29    33    40    67  -0.17800 -1.0 2.0
   29    33    40    67   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    51    46   0.56750  1.0 1.0
   29    33    51    46  -0.07550 -1.0 2.0
   29    33    51    46   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    60   0.44750  1.0 1.0
   29    33    51    60  -0.17800 -1.0 2.0
   29    33    51    60   0.20200  1.0 3.0
   33    37    42    43   0.00000  1.0 1.0
   33    37    42    45   0.09850  1.0 1.0
   33    37    42    45   0.15250 -1.0 2.0
   33    37    42    45  -0.50650  1.0 3.0
   33    40   -44    46  -0.25900  1.0 1.0
   33    40   -44    46  -0.47000 -1.0 2.0
   33    40   -44    46   0.11750  1.0 3.0
   33    51    60    61   0.15000  1.0 3.0
   33    51    60    62   0.15000  1.0 3.0
   33    51    60    63   0.15000  1.0 3.0
   37    33    40    67   0.56750  1.0 1.0
   37    33    40    67  -0.07550 -1.0 2.0
   37    33    40    67   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44   0.62750  1.0 1.0
   37    33    40    44  -0.30950 -1.0 2.0
   37    33    40    44   0.27300  1.0 3.0
   37    33    51    46  -0.95700  1.0 1.0
   37    33    51    46  -0.18200 -1.0 2.0
   37    33    51    46   0.29450  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    60   0.56750  1.0 1.0
   37    33    51    60  -0.07550 -1.0 2.0
   37    33    51    60   0.20000  1.0 3.0
   37    42    45    48   7.00000 -1.0 2.0
   37    42    45    53   7.00000 -1.0 2.0
   38    37    42    43   0.33100  1.0 3.0
   38    37    42    45   0.00000  1.0 1.0
   39    37    42    43   0.33100  1.0 3.0
   39    37    42    45   0.00000  1.0 1.0
   42    45    48    49   0.00000  1.0 1.0
   42    45    48    50   0.00000  1.0 1.0
   42    45    48    57   0.09850  1.0 1.0
   42    45    48    57   0.15250 -1.0 2.0
   42    45    48    57  -0.50650  1.0 3.0
   42    45    53    54   0.00000  1.0 1.0
   42    45    53    55   0.00000  1.0 1.0
   42    45    53    56   0.00000  1.0 1.0
   43    42    45    48   7.00000 -1.0 2.0
   43    42    45    53   7.00000 -1.0 2.0
   45    48    57    58   0.15000  1.0 3.0
   45    48    57    59   0.15000  1.0 3.0
   45    48    57    64   0.31000  1.0 1.0
   45    48    57    64   0.14700 -1.0 2.0
   45    48    57    64   0.07550  1.0 3.0
   48    45    53    54   0.34800  1.0 3.0
   48    45    53    55   0.34800  1.0 3.0
   48    45    53    56   0.34800  1.0 3.0
   48    57    64    65   0.00000  1.0 1.0
   48    57    64    66   0.09850  1.0 1.0
   48    57    64    66   0.15250 -1.0 2.0
   48    57    64    66  -0.50650  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   49    48    57    64   0.15000  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    59   0.15000  1.0 3.0
   50    48    57    64   0.15000  1.0 3.0
   57    64    66    67   7.00000 -1.0 2.0
   57    64    66    70   7.00000 -1.0 2.0
   58    57    64    65   0.33100  1.0 3.0
   58    57    64    66   0.00000  1.0 1.0
   59    57    64    65   0.33100  1.0 3.0
   59    57    64    66   0.00000  1.0 1.0
   64    66    67    68   0.00000  1.0 1.0
   64    66    67    69   0.00000  1.0 1.0
   64    66    67    40   0.09850  1.0 1.0
   64    66    67    40   0.15250 -1.0 2.0
   64    66    67    40  -0.50650  1.0 3.0
   64    66    70    71   0.00000  1.0 1.0
   64    66    70    72   0.00000  1.0 1.0
   64    66    70    73   0.00000  1.0 1.0
   65    64    66    67   7.00000 -1.0 2.0
   65    64    66    70   7.00000 -1.0 2.0
   66    67    40    33   0.34400  1.0 1.0
   66    67    40    33   0.09450 -1.0 2.0
   66    67    40    33   0.11100  1.0 3.0
   66    67    40    41   0.15000  1.0 3.0
   66    67    40    44   0.61850  1.0 1.0
   66    67    40    44  -0.22750 -1.0 2.0
   66    67    40    44   0.15300  1.0 3.0
   67    66    70    71   0.34800  1.0 3.0
   67    66    70    72   0.34800  1.0 3.0
   67    66    70    73   0.34800  1.0 3.0
   67    40    44    46  -0.25900  1.0 1.0
   67    40    44    46  -0.47000 -1.0 2.0
   67    40    44    46   0.11750  1.0 3.0
   68    67    40    33   0.15000  1.0 3.0
   68    67    40    41   0.15000  1.0 3.0
   68    67    40    44   0.23400  1.0 3.0
   69    67    40    33   0.15000  1.0 3.0
   69    67    40    41   0.15000  1.0 3.0
   69    67    40    44   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.34400  1.0 1.0
   40    33    37    42   0.09450 -1.0 2.0
   40    33    37    42   0.11100  1.0 3.0
   40    33   -51    46  -0.95700  1.0 1.0
   40    33   -51    46  -0.18200 -1.0 2.0
   40    33   -51    46   0.29450  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33    51    60   0.56750  1.0 1.0
   40    33    51    60  -0.07550 -1.0 2.0
   40    33    51    60   0.20000  1.0 3.0
   40    44    46    47   3.00000 -1.0 2.0
   40    44   -46    51   1.63150  1.0 1.0
   40    44   -46    51   2.92000 -1.0 2.0
   41    40    44    46   0.08050  1.0 3.0
   44    46   -51    33   0.36750  1.0 3.0
   44    46    51    52   0.00000  1.0 1.0
   44    46    51    60   0.36750  1.0 3.0
   46    51    60    61  -0.11250  1.0 3.0
   46    51    60    62  -0.11250  1.0 3.0
   46    51    60    63  -0.11250  1.0 3.0
   47    46    51    33   0.30150 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    60   0.30150 -1.0 2.0
   51    33    37    38   0.15000  1.0 3.0
   51    33    37    39   0.15000  1.0 3.0
   51    33    37    42   0.34400  1.0 1.0
   51    33    37    42   0.09450 -1.0 2.0
   51    33    37    42   0.11100  1.0 3.0
   51    33    40    67   0.56750  1.0 1.0
   51    33    40    67  -0.07550 -1.0 2.0
   51    33    40    67   0.20000  1.0 3.0
   51    33    40    41   0.15000  1.0 3.0
   51    33   -40    44   0.62750  1.0 1.0
   51    33   -40    44  -0.30950 -1.0 2.0
   51    33   -40    44   0.27300  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    62   0.15000  1.0 3.0
   52    51    60    63   0.15000  1.0 3.0
   70    66    67    68   0.34800  1.0 3.0
   70    66    67    69   0.34800  1.0 3.0
   70    66    67    40   0.46850  1.0 1.0
   70    66    67    40   0.08550 -1.0 2.0
   70    66    67    40   0.09800  1.0 3.0
   53    45    48    49   0.34800  1.0 3.0
   53    45    48    50   0.34800  1.0 3.0
   53    45    48    57   0.46850  1.0 1.0
   53    45    48    57   0.08550 -1.0 2.0
   53    45    48    57   0.09800  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
   37    43    42    45   1.10000 -1.0 2.0
   48    53    45    42   1.10000 -1.0 2.0
   57    65    64    66   1.10000 -1.0 2.0
   67    70    66    64   1.10000 -1.0 2.0
   44    51    46    47  10.50000 -1.0 2.0
END
