* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    137    206     401
    1     0 S   NP   _N1_     1    29.30993    96.32922   -18.88898
    2     1 S   H    _HN1     2     1.02778    76.41640   -89.14546
    3     1 S   H    _H1_     3     1.02954    81.74106    22.11113
    4     1 S   H    _H2_     4     1.02829    49.88545   142.75321
    5     1 S   CT   _CA1     5     1.50105   160.40735   152.03903
    6     5 S   HC   _HA1     6     1.09567   105.24189    51.61936
    7     5 S   CO3  _C1_     7     1.53781   112.45713   -68.69297
    8     7 S   O2Z  _O11     8     1.26370   114.98245   -41.82030
    9     7 S   O2Z  _O12     9     1.26240   114.98770   137.43806
   10     5 S   CT   _CB1    10     1.53085   107.43694   169.69389
   11    10 S   HC   HB11    11     1.09823   109.45509   -49.48817
   12    10 S   HC   HB12    12     1.09820   110.40461    67.16339
   13    10 S   CT   _CG1    13     1.52942   112.56466  -170.50510
   14    13 S   HC   HG11    14     1.09541   110.47130   -63.66857
   15    13 S   HC   HG12    15     1.09656   109.94717    55.55440
   16    13 S   C    _CD1    16     1.51752   112.36476   176.07115
   17    16 S   O    _OE1    17     1.22710   123.33859     1.15487
   18    16 S   N    _N2_    18     1.38597   111.52509  -179.04448
   19    18 S   H    _HN2    19     1.01601   118.94746     1.88927
   20    18 S   CT1  _CA2    20     1.46219   123.47531  -179.94766
   21    20 S   HC   _HA2    21     1.09738   109.44389    -7.87676
   22    20 S   C    _C2_    22     1.53432   108.30983  -123.38291
   23    22 S   O    _O2_    23     1.23029   122.38896  -147.72496
   24    20 S   CT   _CB2    32     1.53655   111.32599   114.31459
   25    24 S   HC   HB21    33     1.09119   108.88009    56.11032
   26    24 S   HC   HB22    34     1.09280   109.54673   174.06971
   27    22 S   N    _N3_    24     1.38365   113.47567    39.74986
   28    27 S   H    _HN3    25     1.01638   119.49976    -3.58370
   29    24 S   S    _SG2    35     1.83101   110.66689   -66.80894
   30    27 S   CT   _CA3    26     1.45286   123.13728   177.00696
   31    30 S   HC   HA31    27     1.09551   107.52791   -63.87024
   32    30 S   HC   HA32    28     1.09558   107.94584    52.53873
   33    29 S   CT   _C15    36     1.87831   104.36644   155.64853
   34    30 S   CO3  _C3_    29     1.52936   114.13149   174.52528
   35    34 S   O2Z  _O31    30     1.26367   116.05980    -0.60133
   36    34 S   O2Z  _O32    31     1.26429   114.41130   179.45607
   37    33 S   CT   _C10    37     1.56722   114.44437   -44.12947
   38    37 S   HC   _H23    38     1.09573   107.61087  -176.55542
   39    37 S   HC   _H24    39     1.09560   109.94354    69.72973
   40    33 S   CT   _C14    55     1.56701   108.68062  -171.95812
   41    40 S   HC   _H30    56     1.09823   108.88584   170.66727
   42    37 S   CM   _C5_    40     1.50263   115.77124   -53.20617
   43    42 S   HC   _H20    41     1.08806   114.45502    46.64547
   44    40 S   OS   _O17    57     1.44970   103.91958   -78.25958
   45    42 S   CM   _C7_    42     1.34927   128.92504  -126.33261
   46    44 S   CO4  _C8_    58     1.36484   109.91642   -26.98425
   47    46 S   O    _O16    59     1.22067   124.35733  -175.53542
   48    45 S   CT   _C11    43     1.52512   118.10753   163.44047
   49    48 S   HC   _H25    44     1.09806   109.93483    34.78875
   50    48 S   HC   _H26    45     1.09649   110.32281   150.96350
   51    33 S   CT   _C13    60     1.55457   111.93679    80.89833
   52    51 S   HC   _H29    61     1.09967   109.09497  -170.27801
   53    45 S   CT   _C17    70     1.49998   125.90968    -9.89328
   54    53 S   HC   _H34    71     1.09380   110.76877   115.52139
   55    53 S   HC   _H35    72     1.09228   113.21440    -5.95424
   56    53 S   HC   _H36    73     1.09532   109.70537  -125.25924
   57    48 S   CT   _C9_    46     1.54987   111.72449   -86.51093
   58    57 S   HC   _H21    47     1.09353   109.07435   -75.76316
   59    57 S   HC   _H22    48     1.09514   109.64754   168.47214
   60    51 S   CT   _C18    62     1.51925   119.02541   -46.38434
   61    60 S   HC   _H37    63     1.09424   112.41048    70.67980
   62    60 S   HC   _H38    64     1.09356   111.47941   -52.75393
   63    60 S   HC   _H39    65     1.09649   109.86957  -171.50229
   64    57 S   CM   _C4_    49     1.51133   110.50850    48.02142
   65    64 S   HC   _H19    50     1.08950   114.31700    68.84108
   66    64 S   CM   _C6_    51     1.34905   125.71584   -97.67852
   67    66 S   CT   _C12    52     1.51443   120.17514   160.23284
   68    67 S   HC   _H27    53     1.09477   111.27385    17.20337
   69    67 S   HC   _H28    54     1.09952   107.43077   129.75572
   70    66 S   CT   _C16    66     1.50584   124.47500   -16.13060
   71    70 S   HC   _H31    67     1.09333   111.06935   103.12280
   72    70 S   HC   _H32    68     1.09250   113.02381   -18.73859
   73    70 S   HC   _H33    69     1.09562   109.98831  -137.14275
  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
