* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    121    190     353
    1     0 S   NP   _N1_     1    28.76758    94.83077   -23.63022
    2     1 S   H    _HN1     2     1.02953    80.17808    20.66354
    3     1 S   H    _H1_     3     1.02830    29.52343   176.21307
    4     1 S   H    _H2_     4     1.02784   106.08038   -85.75822
    5     1 S   CT   _CA1     5     1.50108   133.52050   129.53958
    6     5 S   HC   _HA1     6     1.09573   105.21510    81.73840
    7     5 S   CO3  _C1_     7     1.53802   112.45107   -38.52023
    8     7 S   O2Z  _O11     8     1.26371   115.00746   -42.71510
    9     7 S   O2Z  _O12     9     1.26242   114.95262   136.47320
   10     5 S   CT   _CB1    10     1.53089   107.42927  -160.26483
   11    10 S   HC   HB11    11     1.09830   109.40619   -49.82937
   12    10 S   HC   HB12    12     1.09815   110.42815    66.78585
   13    10 S   CT   _CG1    13     1.52978   112.58726  -170.82622
   14    13 S   HC   HG11    14     1.09590   110.58124   -64.58793
   15    13 S   HC   HG12    15     1.09668   109.84115    54.63650
   16    13 S   C    _CD1    16     1.51793   112.30728   175.09807
   17    16 S   O    _OE1    17     1.22722   123.33083     4.19801
   18    16 S   N    _N2_    18     1.38636   111.59281  -175.93755
   19    18 S   H    _HN2    19     1.01588   118.94709     1.92549
   20    18 S   CT1  _CA2    20     1.46208   123.44216   178.34330
   21    20 S   HC   _HA2    21     1.09736   109.38781    -0.06853
   22    20 S   C    _C2_    22     1.53509   108.66627  -115.56640
   23    22 S   O    _O2_    23     1.23049   122.28374  -148.94886
   24    20 S   CT   _CB2    32     1.53382   111.38424   121.93864
   25    24 S   HC   HB21    33     1.09504   109.66232    55.71845
   26    24 S   HC   HB22    34     1.09439   110.05887   174.70235
   27    22 S   N    _N3_    24     1.38332   113.68069    38.58839
   28    27 S   H    _HN3    25     1.01599   119.56734    -3.50604
   29    24 S   S    _SG2    35     1.83015   111.16913   -65.69457
   30    27 S   CT   _CA3    26     1.45283   123.17101   177.04680
   31    30 S   HC   HA31    27     1.09550   107.52433   -64.15443
   32    30 S   HC   HA32    28     1.09559   107.96303    52.27147
   33    29 S   CT   _C18    36     1.85148   100.72063   168.15725
   34    30 S   CO3  _C3_    29     1.52944   114.10273   174.25871
   35    34 S   O2Z  _O31    30     1.26374   116.06749    -0.58081
   36    34 S   O2Z  _O32    31     1.26430   114.41026   179.47586
   37    33 S   CO4  _C15    37     1.53007   107.06783    65.44772
   38    37 S   O    _O18    38     1.23151   122.98873   -95.27640
   39    33 S   OS   _O22    64     1.43399   112.94442   -49.59084
   40    37 S   CM   _C10    39     1.48561   118.76973    83.06775
   41    40 S   HC   _H27    40     1.08644   115.55794  -169.20220
   42    39 S   CT   _C19    65     1.42083   116.50902   -73.11588
   43    42 S   HC   _H31    66     1.09373   107.88495   171.95219
   44    42 S   HC   _H32    67     1.09314   111.76403    53.20279
   45    42 S   HC   _H33    68     1.09332   110.79280   -70.32975
   46    40 S   CM   _C13    41     1.34017   122.92211    11.10642
   47    46 S   CM   _C14    42     1.45225   121.79805  -179.74589
   48    46 S   CO4  _C16    59     1.49396   119.20896     2.28619
   49    48 S   O    _O19    60     1.23032   120.92289  -170.10272
   50    47 S   CM   _C11    43     1.34120   122.81981    64.29158
   51    50 S   HC   _H28    44     1.08331   123.77437     0.01978
   52    47 S   CO4  _C12    55     1.48930   119.91921  -115.73720
   53    52 S   O    _O17    56     1.22463   122.36793     2.99480
   54    33 S   CT   _C17    61     1.53015   110.49715  -176.02532
   55    54 S   HC   _H29    62     1.09795   110.56573   171.65943
   56    54 S   HC   _H30    63     1.09727   110.84507    53.89698
   57    50 S   OS   _O20    45     1.37353   126.84274   179.46041
   58    57 S   CA   _C8_    46     1.37154   117.64283    -1.36688
   59    58 S   CA   _C6_    47     1.39467   117.20063  -178.59389
   60    59 S   HA   _H26    48     1.08656   120.40007     0.08623
   61    59 S   CA   _C9_    49     1.39310   119.35745  -179.93147
   62    61 S   CA   _C5_    50     1.39462   120.93368     0.04846
   63    62 S   HA   _H25    51     1.08621   120.93106   179.98022
   64    61 S   OH   _O21    57     1.36649   118.09219  -179.96574
   65    64 S   HO   _H34    58     0.97246   108.63115   179.91377
   66    62 S   CA   _C4_    52     1.39567   119.59934     0.00000
   67    66 S   HA   _H24    53     1.08676   119.20450   179.97202
   68    58 S   CA   _C7_    54     1.39492   122.69536     1.52444
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   2   1   1  11   5   9   8   3   4   2   1   1  12  11   6
   3   7   3   8   3   2   1   1   6   8   8   4   7   6   4   2
   1   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    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    54    55    56    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    48    49    54    55    56    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    48    54    55    56    39    42  
   40    41    46    54    39  
   42    43    44    45    40    48    54    55    56  
   41    46    47    50    52    48    49    54  
   46    47    48  
   43    44    45    54  
   44    45  
   45  
    0  
   47    50    51    57    68    52    53    48    49    54    55    56  
   50    51    57    58    66    68    52    53    48    49    54  
   49    54    55    56    50    52  
   54    55    56  
   51    57    58    59    68    52    53  
   57    58    52  
   53    57    58    59    62    66    67    68  
   58    66    68  
   55    56  
   56  
    0  
   58    59    60    61    66    68  
   59    60    61    62    66    67    68    64  
   60    61    62    63    66    68    64    65  
   61    62    68    64  
   62    63    66    67    68    64    65  
   63    66    67    68    64    65  
   66    67    68    64  
   65    66  
    0  
   67    68  
   68  
    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   0.396900   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    54   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    41   340.000  1.080
   40    46   549.000  1.340
   46    47   380.000  1.444
   46    48   320.000  1.462
   47    50   549.000  1.340
   47    52   320.000  1.462
   50    51   340.000  1.080
   50    57   440.000  1.360
   57    58   450.000  1.364
   58    59   469.000  1.400
   58    68   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    52   310.000  1.470
   52    53   570.000  1.229
   64    65   553.000  0.945
   48    49   570.000  1.229
   48    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  110.18000
   29    33    54    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    54    48    63.00000  111.10000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    39    42    60.00000  109.50000
   37    40    41    40.00000  117.72500
   37    40    46    65.00000  118.96000
   40    37    38    80.00000  123.72100
   40    46    47    60.00000  124.00000
   40    46    48    65.00000  118.96000
   46    40    41    35.00000  120.00000
   46    47    50    60.00000  124.00000
   46    47    52    60.00000  124.00000
   46    48    49    80.00000  123.72100
   46    48    54    65.00000  118.62400
   47    50    51    35.00000  120.00000
   47    50    57    80.00000  120.01400
   47    52    68    65.00000  117.02400
   47    52    53    80.00000  123.72100
   50    57    58    90.00000  114.30300
   57    50    51    55.00000  109.52600
   57    58    59    70.00000  120.00000
   57    58    68    70.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    61    63.00000  120.00000
   58    68    66    63.00000  120.00000
   58    68    52    60.00000  119.52600
   59    61    62    63.00000  120.00000
   59    61    64    70.00000  120.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    35.00000  113.00000
   62    66    67    35.00000  120.00000
   62    66    68    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    68    52    60.00000  119.52600
   68    58    59    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    52    53    75.00000  123.78400
   52    47    50    65.00000  118.96000
   64    61    62    70.00000  120.00000
   48    46    47    60.00000  124.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   54    33    37    63.00000  111.10000
   54    48    49    80.00000  120.40000
   56    54    55    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    54    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    54    48   0.56750  1.0 1.0
   29    33    54    48  -0.07550 -1.0 2.0
   29    33    54    48   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   0.04550  1.0 1.0
   33    37    40    41   0.83000 -1.0 2.0
   33    37    40    41  -0.04000  1.0 3.0
   33    37    40    46  -0.33500  1.0 1.0
   33    37    40    46   1.06600 -1.0 2.0
   33    37    40    46  -0.14000  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    54    48   0.11950  1.0 1.0
   37    33    54    48   0.20300 -1.0 2.0
   37    33    54    48  -0.70800  1.0 3.0
   37    33    54    55  -0.11250  1.0 3.0
   37    33    54    56  -0.11250  1.0 3.0
   37    33    39    42  -1.11000  1.0 1.0
   37    33    39    42   0.50250 -1.0 2.0
   37    33    39    42   0.47450  1.0 3.0
   37    40    46    47   7.00000 -1.0 2.0
   37    40   -46    48   7.00000 -1.0 2.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    46   1.00000 -1.0 2.0
   40    46    47    50   0.28850  1.0 1.0
   40    46    47    50   2.61350 -1.0 2.0
   40    46    47    50   0.78400  1.0 3.0
   40    46    47    52  -0.18600  1.0 3.0
   40    46    48    49   1.00000 -1.0 2.0
   40    46    48    54  -0.33500  1.0 1.0
   40    46    48    54   1.06600 -1.0 2.0
   40    46    48    54  -0.14000  1.0 3.0
   41    40    46    47   7.00000 -1.0 2.0
   41    40    46    48   7.00000 -1.0 2.0
   46    47    50    51   7.00000 -1.0 2.0
   46    47    50    57   7.00000 -1.0 2.0
   46    47    52    68  -1.65800  1.0 1.0
   46    47    52    68   0.77650 -1.0 2.0
   46    47    52    53   1.00000 -1.0 2.0
   46    48   -54    33   0.65300  1.0 1.0
   46    48   -54    33  -0.03850 -1.0 2.0
   46    48   -54    33   0.33900  1.0 3.0
   46    48    54    55   0.00000  1.0 1.0
   46    48    54    56   0.00000  1.0 1.0
   47    46    48    49   1.00000 -1.0 2.0
   47    46    48    54  -0.33500  1.0 1.0
   47    46    48    54   1.06600 -1.0 2.0
   47    46    48    54  -0.14000  1.0 3.0
   47    50    57    58   2.00000 -1.0 2.0
   50    47    52    68  -1.65800  1.0 1.0
   50    47    52    68   0.77650 -1.0 2.0
   50    47    52    53   1.00000 -1.0 2.0
   50    57    58    59   0.00000  1.0 1.0
   50    57   -58    68   0.00000  1.0 1.0
   51    50    57    58   0.50000 -1.0 2.0
   57    58    59    60   3.62500 -1.0 2.0
   57    58    59    61   3.62500 -1.0 2.0
   57    58    68    66   3.62500 -1.0 2.0
   57    58    68    52   3.62500 -1.0 2.0
   58    59    61    62   3.62500 -1.0 2.0
   58    59    61    64   3.62500 -1.0 2.0
   58    68   -52    47  -0.11500  1.0 1.0
   58    68   -52    47   1.10450 -1.0 2.0
   58    68   -52    47  -0.48050  1.0 3.0
   58    68    52    53   1.05000 -1.0 2.0
   59    58    68    66   3.62500 -1.0 2.0
   59    58    68    52   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61   -62    66   3.62500 -1.0 2.0
   59    61    64    65   0.84100 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    64   3.62500 -1.0 2.0
   61    62    66    67   3.62500 -1.0 2.0
   61    62    66    68   3.62500 -1.0 2.0
   62    61    64    65   0.84100 -1.0 2.0
   62    66   -68    58   3.62500 -1.0 2.0
   62    66    68    52   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   63    62    66    68   3.62500 -1.0 2.0
   66    68    52    47  -0.11500  1.0 1.0
   66    68    52    47   1.10450 -1.0 2.0
   66    68    52    47  -0.48050  1.0 3.0
   66    68    52    53   1.05000 -1.0 2.0
   67    66    68    58   3.62500 -1.0 2.0
   67    66    68    52   3.62500 -1.0 2.0
   68    58    59    60   3.62500 -1.0 2.0
   68    58   -59    61   3.62500 -1.0 2.0
   52    47    50    51   7.00000 -1.0 2.0
   52    47   -50    57   7.00000 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -1.0 2.0
   48    46    47    50  -0.18600  1.0 3.0
   48    46    47    52   1.08500 -1.0 2.0
   49    48    54    33   0.30150 -1.0 2.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    56   0.00000  1.0 1.0
   54    33    37    38   0.30150 -1.0 2.0
   54    33   -37    40   0.65300  1.0 1.0
   54    33   -37    40  -0.03850 -1.0 2.0
   54    33   -37    40   0.33900  1.0 3.0
   54    33    39    42   0.06250  1.0 1.0
   54    33    39    42  -0.01100 -1.0 2.0
   54    33    39    42   0.28050  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    54    48  -0.09450  1.0 1.0
   39    33    54    48  -1.12950 -1.0 2.0
   39    33    54    48   0.54000  1.0 3.0
   39    33    54    55   0.23400  1.0 3.0
   39    33    54    56   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    41    40    46   1.10000 -1.0 2.0
   47    48    46    40   1.10000 -1.0 2.0
   46    52    47    50   1.10000 -1.0 2.0
   57    51    50    47   1.10000 -1.0 2.0
   59    68    58    57   4.00000 -1.0 2.0
   61    60    59    58   1.10000 -1.0 2.0
   62    64    61    59   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   68    67    66    62   1.10000 -1.0 2.0
   66    52    68    58   4.00000 -1.0 2.0
   47    68    52    53  10.50000 -1.0 2.0
   46    54    48    49  10.50000 -1.0 2.0
END
