* LIGAND DATABASE FILE (OPLS2005)
*
001      70    73    134    209     385
    1     0 S   NP   _N1_     1    28.73358    95.11382   -20.74988
    2     1 S   H    _HN1     2     1.02968    88.69645    38.24928
    3     1 S   H    _H1_     3     1.02834    35.07851   161.12153
    4     1 S   H    _H2_     4     1.02776    86.43826   -70.20334
    5     1 S   CT   _CA1     5     1.50132   145.81135   164.10641
    6     5 S   HC   _HA1     6     1.09576   105.23614    57.31574
    7     5 S   CO3  _C1_     7     1.53784   112.33837   -62.84864
    8     7 S   O2Z  _O11     8     1.26349   115.00152   -44.35014
    9     7 S   O2Z  _O12     9     1.26241   114.90687   134.75636
   10     5 S   CT   _CB1    10     1.53077   107.39342   175.15924
   11    10 S   HC   HB11    11     1.09818   109.27599   -51.16214
   12    10 S   HC   HB12    12     1.09830   110.42023    65.35826
   13    10 S   CT   _CG1    13     1.53007   112.72472  -172.36241
   14    13 S   HC   HG11    14     1.09594   110.27121   -62.91629
   15    13 S   HC   HG12    15     1.09632   110.17463    56.29238
   16    13 S   C    _CD1    16     1.51815   112.18656   176.44532
   17    16 S   O    _OE1    17     1.22737   123.18544   -10.60224
   18    16 S   N    _N2_    18     1.38607   111.71119   170.03658
   19    18 S   H    _HN2    19     1.01585   119.04415     1.05183
   20    18 S   CT1  _CA2    20     1.46268   123.38838  -177.66142
   21    20 S   HC   _HA2    21     1.09734   109.33636   -14.00476
   22    20 S   C    _C2_    22     1.53382   108.41044  -129.75286
   23    22 S   O    _O2_    23     1.23010   122.26937  -146.24040
   24    20 S   CT   _CB2    32     1.53434   111.28961   107.99216
   25    24 S   HC   HB21    33     1.09599   109.68720    55.32868
   26    24 S   HC   HB22    34     1.09501   110.67266   174.33912
   27    22 S   N    _N3_    24     1.38522   113.34411    41.20410
   28    27 S   H    _HN3    25     1.01527   118.88631    -0.63766
   29    24 S   S    _SG2    35     1.82556   111.61184   -65.72930
   30    27 S   CT   _CA3    26     1.45446   123.43364   174.99759
   31    30 S   HC   HA31    27     1.09525   109.20071    24.97283
   32    30 S   HC   HA32    28     1.09494   107.12672   141.98316
   33    29 S   CT   _C13    36     1.83564    99.03551   163.62216
   34    33 S   HC   _H3_    37     1.09579   106.95952   -53.06143
   35    30 S   CO3  _C3_    29     1.52933   113.16305   -98.47214
   36    35 S   O2Z  _O31    30     1.26399   115.43641   -43.40664
   37    35 S   O2Z  _O32    31     1.26360   114.96008   137.53726
   38    33 S   CM   _C8_    38     1.52184   110.90211  -170.78544
   39    33 S   OS   _O20    63     1.43326   113.82176    62.13515
   40    38 S   CT   _C11    39     1.52183   115.56005  -109.68660
   41    40 S   HC   _H26    40     1.09840   110.33493   147.01949
   42    38 S   CMA  _C10    64     1.37060   122.66666    72.98790
   43    42 S   OM   _O16    65     1.26981   125.37060   178.64578
   44    40 S   CM   _C4_    41     1.50771   112.40877   -92.61236
   45    44 S   HC   _H23    42     1.08158   123.81877   -45.84238
   46    42 S   OS   _O21    66     1.42067   111.64995     0.77126
   47    44 S   CM   _C5_    43     1.33600   112.16562   137.72055
   48    47 S   HC   _H24    44     1.08057   124.25697   177.07725
   49    46 S   CT   _C18    67     1.42784   114.27264  -141.27283
   50    49 S   HC   _H34    68     1.09397   107.69901   171.25908
   51    49 S   HC   _H35    69     1.09534   111.12256    53.13325
   52    49 S   HC   _H36    70     1.09465   111.02892   -70.79024
   53    47 S   CT   _C16    45     1.49171   111.35879    -0.55107
   54    53 S   CT   _C12    46     1.50286   116.24268  -127.99887
   55    54 S   HC   _H27    47     1.09546   113.97218   -26.38319
   56    54 S   CM   _C6_    48     1.49326   101.71981  -145.53894
   57    54 S   OS   _O19    58     1.42355   108.20688    96.44162
   58    56 S   CO4  _C7_    49     1.48253   107.70128    18.05524
   59    58 S   O    _O17    50     1.21704   127.51828   169.76941
   60    56 S   CM   _C9_    52     1.34090   125.64309  -160.77203
   61    60 S   HC   _H25    53     1.08957   117.29845    -1.53493
   62    57 S   CO   _C15    59     1.43788   110.09531     7.44890
   63    62 S   HC   _H30    60     1.09454   105.66370   125.00147
   64    53 S   OS   _O18    51     1.42452   110.23613   109.19599
   65    60 S   CT   _C17    54     1.49348   128.66389   177.89336
   66    65 S   HC   _H31    55     1.09496   109.37607  -128.33370
   67    65 S   HC   _H32    56     1.09426   109.80766   113.30427
   68    65 S   HC   _H33    57     1.09070   113.90074    -8.42947
   69    40 S   CT   _C14    61     1.54110   115.53480    24.38208
   70    69 S   HC   _H29    62     1.09753   110.64856    96.77137
  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   7   5   4   3
  13   5   2   1   1  14   9  16   8   8   2   9   4   4  11   4
   3   2   1   1  12  13   7  12   7   6   2   6   4   4   2   2
   3   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    62    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    57    62    63    69    39    42    43    46  
   38    40    62    39    42  
   36    37  
   37  
    0  
   40    41    44    45    47    53    62    69    70    39    42    43    46    49  
   42    40    53    54    57    62    63    69    70  
   41    44    45    47    48    53    54    64    57    62    63    69    70    42    43    46  
   44    45    47    53    62    69    70    42  
   43    46    49    50    51    52    44    69  
   46    49  
   45    47    48    53    54    64    62    69    70  
   47    48    53    69  
   49    50    51    52  
   48    53    54    55    56    58    64    57    62    69    70  
   53    54    64    69  
   50    51    52  
   51    52  
   52  
    0  
   54    55    56    58    59    64    60    57    62    63    69    70  
   55    56    58    59    64    60    61    65    57    62    63    69    70  
   56    58    64    60    57    62    69  
   58    59    64    60    61    65    66    67    68    57    62    69  
   62    63    69    70    58    60    64  
   59    64    60    61    65    69  
   64    60  
   61    65    66    67    68    64  
   65    66    67    68  
   63    69    70    64  
   69    70  
   69    70  
   66    67    68  
   67    68  
   68  
    0  
   70  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.319000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   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    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   317.000  1.510
   33    39   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    44   317.000  1.510
   40    69   268.000  1.529
   44    45   340.000  1.080
   44    47   549.000  1.340
   47    48   340.000  1.080
   47    53   317.000  1.510
   53    54   268.000  1.529
   53    64   320.000  1.410
   53    69   268.000  1.529
   54    55   340.000  1.090
   54    56   317.000  1.510
   54    57   320.000  1.410
   56    58   320.000  1.462
   56    60   549.000  1.340
   58    59   570.000  1.229
   58    64   214.000  1.327
   60    61   340.000  1.080
   60    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   57    62   320.000  1.380
   62    63   340.000  1.090
   62    69   250.000  1.527
   62    39   320.000  1.380
   69    70   340.000  1.090
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    62    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    44    70.00000  110.12100
   38    40    69    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    46    80.00000  120.01400
   40    44    45    35.00000  117.00000
   40    44    47    70.00000  124.00000
   40    69    53    58.35000  112.70000
   40    69    62    75.00000  109.43000
   40    69    70    37.50000  110.70000
   44    40    41    35.00000  109.50000
   44    47    48    35.00000  120.00000
   44    47    53    70.00000  124.00000
   47    44    45    35.00000  120.00000
   47    53    54    70.00000  112.02700
   47    53    64    85.00000  110.90400
   47    53    69    70.00000  112.02700
   53    47    48    35.00000  117.00000
   53    54    55    37.50000  110.70000
   53    54    56    70.00000  112.02700
   53    54    57    50.00000  109.50000
   53    64    58    83.00000  116.90000
   53    69    62    75.00000  109.43000
   53    69    70    37.50000  110.70000
   54    56    58    65.00000  116.34900
   54    56    60    70.00000  124.00000
   54    57    62    60.00000  109.50000
   56    54    55    35.00000  109.50000
   56    58    59    80.00000  123.72100
   56    58    64    90.00000  111.29400
   56    60    61    35.00000  120.00000
   56    60    65    70.00000  124.00000
   64    53    54    50.00000  109.50000
   64    58    59    83.00000  123.40000
   60    56    58    65.00000  118.96000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   65    60    61    35.00000  117.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    85.00000  110.90400
   57    62    63    35.00000  109.50000
   57    62    69    90.00000  108.56700
   57    62    39    92.60000  111.55000
   62    69    70    45.00000  108.72000
   69    40    41    37.50000  110.70000
   69    40    44    70.00000  112.02700
   69    53    54    58.35000  112.70000
   69    53    64    50.00000  109.50000
   69    62    63    45.00000  112.01100
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    62    63    35.00000  109.50000
   39    62    69    90.00000  108.56700
   42    38    40    70.00000  124.00000
   42    46    49    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    62   0.14700  1.0 1.0
   29    33    39    62  -1.16150 -1.0 2.0
   29    33    39    62   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    44   0.09700  1.0 1.0
   33    38    40    44   0.15600 -1.0 2.0
   33    38    40    44  -0.50800  1.0 3.0
   33    38    40    69   0.46850  1.0 1.0
   33    38    40    69   0.08550 -1.0 2.0
   33    38    40    69   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    62   0.37050  1.0 3.0
   38    33    39    62  -0.77900  1.0 1.0
   38    33    39    62  -0.36900 -1.0 2.0
   38    33    39    62   0.40400  1.0 3.0
   38    40    44    45   0.00000  1.0 1.0
   38    40    44    47  -0.28300  1.0 1.0
   38    40    44    47   0.26700 -1.0 2.0
   38    40    44    47  -0.63300  1.0 3.0
   38    40    69    53   0.34400  1.0 1.0
   38    40    69    53   0.09450 -1.0 2.0
   38    40    69    53   0.11100  1.0 3.0
   38    40   -69    62   0.34400  1.0 1.0
   38    40   -69    62   0.09450 -1.0 2.0
   38    40   -69    62   0.11100  1.0 3.0
   38    40    69    70   0.15000  1.0 3.0
   38    42    46    49  -2.26850  1.0 1.0
   38    42    46    49   3.39050 -1.0 2.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    46   7.00000 -1.0 2.0
   40    44    47    48   7.00000 -1.0 2.0
   40    44   -47    53   7.00000 -1.0 2.0
   41    40    44    45   0.33100  1.0 3.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    69    53   0.15000  1.0 3.0
   41    40    69    62   0.15000  1.0 3.0
   41    40    69    70   0.15000  1.0 3.0
   44    40   -69    53   0.34400  1.0 1.0
   44    40   -69    53   0.09450 -1.0 2.0
   44    40   -69    53   0.11100  1.0 3.0
   44    40    69    62   0.34400  1.0 1.0
   44    40    69    62   0.09450 -1.0 2.0
   44    40    69    62   0.11100  1.0 3.0
   44    40    69    70   0.15000  1.0 3.0
   44    47    53    54   0.09850  1.0 1.0
   44    47    53    54   0.15250 -1.0 2.0
   44    47    53    54  -0.50650  1.0 3.0
   44    47    53    64   0.39000  1.0 1.0
   44    47    53    64  -0.05800 -1.0 2.0
   44    47    53    64  -0.55150  1.0 3.0
   44    47   -53    69   0.09850  1.0 1.0
   44    47   -53    69   0.15250 -1.0 2.0
   44    47   -53    69  -0.50650  1.0 3.0
   45    44    47    48   7.00000 -1.0 2.0
   45    44    47    53   7.00000 -1.0 2.0
   47    53    54    55   0.15000  1.0 3.0
   47    53    54    56   0.31000  1.0 1.0
   47    53    54    56   0.14700 -1.0 2.0
   47    53    54    56   0.07550  1.0 3.0
   47    53    54    57   0.61850  1.0 1.0
   47    53    54    57  -0.22750 -1.0 2.0
   47    53    54    57   0.15300  1.0 3.0
   47    53    64    58  -0.82050  1.0 1.0
   47    53    64    58   0.00600 -1.0 2.0
   47    53    64    58   0.04400  1.0 3.0
   47    53   -69    40   0.34400  1.0 1.0
   47    53   -69    40   0.09450 -1.0 2.0
   47    53   -69    40   0.11100  1.0 3.0
   47    53    69    62   0.34400  1.0 1.0
   47    53    69    62   0.09450 -1.0 2.0
   47    53    69    62   0.11100  1.0 3.0
   47    53    69    70   0.15000  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    64   0.00000  1.0 1.0
   48    47    53    69   0.00000  1.0 1.0
   53    54   -56    58   0.09700  1.0 1.0
   53    54   -56    58   0.15600 -1.0 2.0
   53    54   -56    58  -0.50800  1.0 3.0
   53    54    56    60   0.09850  1.0 1.0
   53    54    56    60   0.15250 -1.0 2.0
   53    54    56    60  -0.50650  1.0 3.0
   53    54   -57    62   0.06250  1.0 1.0
   53    54   -57    62  -0.01100 -1.0 2.0
   53    54   -57    62   0.28050  1.0 3.0
   54    53   -64    58  -0.25900  1.0 1.0
   54    53   -64    58  -0.47000 -1.0 2.0
   54    53   -64    58   0.11750  1.0 3.0
   54    53    69    40   0.56750  1.0 1.0
   54    53    69    40  -0.07550 -1.0 2.0
   54    53    69    40   0.20000  1.0 3.0
   54    53   -69    62   3.97050  1.0 1.0
   54    53    69    70   0.15000  1.0 3.0
   54    56    58    59  -0.64400  1.0 1.0
   54    56    58    59   0.26850 -1.0 2.0
   54    56   -58    64  -0.15000  1.0 1.0
   54    56   -58    64   0.89550 -1.0 2.0
   54    56   -58    64  -0.06900  1.0 3.0
   54    56    60    61   7.00000 -1.0 2.0
   54    56    60    65   7.00000 -1.0 2.0
   54    57    62    63   0.37050  1.0 3.0
   54    57   -62    69   0.06250  1.0 1.0
   54    57   -62    69  -0.01100 -1.0 2.0
   54    57   -62    69   0.28050  1.0 3.0
   54    57    62    39  -0.53350  1.0 1.0
   54    57    62    39  -0.78350 -1.0 2.0
   54    57    62    39   0.33750  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    60   0.00000  1.0 1.0
   55    54    57    62   0.37050  1.0 3.0
   56    54    57    62  -0.77900  1.0 1.0
   56    54    57    62  -0.36900 -1.0 2.0
   56    54    57    62   0.40400  1.0 3.0
   56    58   -64    53   2.00000 -1.0 2.0
   56    60    65    66   0.00000  1.0 1.0
   56    60    65    67   0.00000  1.0 1.0
   56    60    65    68   0.00000  1.0 1.0
   58    56    60    61   7.00000 -1.0 2.0
   58    56    60    65   7.00000 -1.0 2.0
   59    58    64    53   3.00000 -1.0 2.0
   64    53    54    55   0.23400  1.0 3.0
   64    53   -54    56   0.61850  1.0 1.0
   64    53   -54    56  -0.22750 -1.0 2.0
   64    53   -54    56   0.15300  1.0 3.0
   64    53    54    57   1.11900  1.0 1.0
   64    53    54    57  -1.16350 -1.0 2.0
   64    53    54    57  -0.34150  1.0 3.0
   64    53    69    40   0.62750  1.0 1.0
   64    53    69    40  -0.30950 -1.0 2.0
   64    53    69    40   0.27300  1.0 3.0
   64    53    69    62   0.62750  1.0 1.0
   64    53    69    62  -0.30950 -1.0 2.0
   64    53    69    62   0.27300  1.0 3.0
   64    53    69    70   0.23400  1.0 3.0
   60    56    58    59   1.00000 -1.0 2.0
   60    56    58    64  -0.56150  1.0 1.0
   60    56    58    64   2.19150 -1.0 2.0
   61    60    65    66   0.33100  1.0 3.0
   61    60    65    67   0.33100  1.0 3.0
   61    60    65    68   0.33100  1.0 3.0
   57    54    56    58   0.09700  1.0 1.0
   57    54    56    58   0.15600 -1.0 2.0
   57    54    56    58  -0.50800  1.0 3.0
   57    54    56    60   0.39000  1.0 1.0
   57    54    56    60  -0.05800 -1.0 2.0
   57    54    56    60  -0.55150  1.0 3.0
   57    62    69    40   0.62750  1.0 1.0
   57    62    69    40  -0.30950 -1.0 2.0
   57    62    69    40   0.27300  1.0 3.0
   57    62   -69    53   0.62750  1.0 1.0
   57    62   -69    53  -0.30950 -1.0 2.0
   57    62   -69    53   0.27300  1.0 3.0
   57    62    69    70   0.23400  1.0 3.0
   57    62    39    33  -0.53350  1.0 1.0
   57    62    39    33  -0.78350 -1.0 2.0
   57    62    39    33   0.33750  1.0 3.0
   63    62    69    40   0.15000  1.0 3.0
   63    62    69    53   0.15000  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    39    33   0.37050  1.0 3.0
   69    40    44    45   0.00000  1.0 1.0
   69    40   -44    47   0.09850  1.0 1.0
   69    40   -44    47   0.15250 -1.0 2.0
   69    40   -44    47  -0.50650  1.0 3.0
   69    53    54    55   0.15000  1.0 3.0
   69    53    54    56   0.34400  1.0 1.0
   69    53    54    56   0.09450 -1.0 2.0
   69    53    54    56   0.11100  1.0 3.0
   69    53   -54    57   0.62750  1.0 1.0
   69    53   -54    57  -0.30950 -1.0 2.0
   69    53   -54    57   0.27300  1.0 3.0
   69    53    64    58  -0.25900  1.0 1.0
   69    53    64    58  -0.47000 -1.0 2.0
   69    53    64    58   0.11750  1.0 3.0
   69    62   -39    33   0.06250  1.0 1.0
   69    62   -39    33  -0.01100 -1.0 2.0
   69    62   -39    33   0.28050  1.0 3.0
   39    33    38    40   0.09700  1.0 1.0
   39    33    38    40   0.15600 -1.0 2.0
   39    33    38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    62   -69    40   0.62750  1.0 1.0
   39    62   -69    40  -0.30950 -1.0 2.0
   39    62   -69    40   0.27300  1.0 3.0
   39    62    69    53   0.62750  1.0 1.0
   39    62    69    53  -0.30950 -1.0 2.0
   39    62    69    53   0.27300  1.0 3.0
   39    62    69    70   0.23400  1.0 3.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    44  -0.28300  1.0 1.0
   42    38    40    44   0.26700 -1.0 2.0
   42    38    40    44  -0.63300  1.0 3.0
   42    38    40    69   0.09850  1.0 1.0
   42    38    40    69   0.15250 -1.0 2.0
   42    38    40    69  -0.50650  1.0 3.0
   42    46    49    50   0.08050  1.0 3.0
   42    46    49    51   0.08050  1.0 3.0
   42    46    49    52   0.08050  1.0 3.0
   43    42    46    49   2.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    42   1.10000 -1.0 2.0
   40    45    44    47   1.10000 -1.0 2.0
   53    48    47    44   1.10000 -1.0 2.0
   54    58    56    60   1.10000 -1.0 2.0
   56    64    58    59  10.50000 -1.0 2.0
   65    61    60    56   1.10000 -1.0 2.0
   43    46    42    38   1.10000 -1.0 2.0
END
