* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    138    213     410
    1     0 S   NP   _N1_     1    30.18768    95.87922   -16.30756
    2     1 S   H    _HN1     2     1.02778    53.20023   -84.52534
    3     1 S   H    _H1_     3     1.02956    97.68085    22.64619
    4     1 S   H    _H2_     4     1.02835    61.44481   127.96695
    5     1 S   CT   _CA1     5     1.50125   151.73981  -151.28741
    6     5 S   HC   _HA1     6     1.09559   105.30244    -8.58593
    7     5 S   CO3  _C1_     7     1.53949   112.14136  -129.03236
    8     7 S   O2Z  _O11     8     1.26382   115.00807   -45.93666
    9     7 S   O2Z  _O12     9     1.26220   114.96950   133.03625
   10     5 S   CT   _CB1    10     1.53086   107.41947   109.54670
   11    10 S   HC   HB11    11     1.09816   109.79588   -47.44190
   12    10 S   HC   HB12    12     1.09836   110.22704    69.22170
   13    10 S   CT   _CG1    13     1.53024   112.54368  -168.45631
   14    13 S   HC   HG11    14     1.09463   110.31017   -53.66771
   15    13 S   HC   HG12    15     1.09600   110.26626    65.24605
   16    13 S   C    _CD1    16     1.51818   111.70737  -174.68408
   17    16 S   O    _OE1    17     1.22773   122.94271   -20.76320
   18    16 S   N    _N2_    18     1.38508   111.98180   159.92721
   19    18 S   H    _HN2    19     1.01656   119.03250     1.15216
   20    18 S   CT1  _CA2    20     1.46173   123.45996  -175.22968
   21    20 S   HC   _HA2    21     1.09721   109.37550   -16.13612
   22    20 S   C    _C2_    22     1.53372   108.39182  -132.01839
   23    22 S   O    _O2_    23     1.23015   122.24420  -146.49192
   24    20 S   CT   _CB2    32     1.53577   111.14518   105.89145
   25    24 S   HC   HB21    33     1.09466   109.61627    55.73193
   26    24 S   HC   HB22    34     1.09515   110.63210   173.74671
   27    22 S   N    _N3_    24     1.38512   113.33838    41.01140
   28    27 S   H    _HN3    25     1.01537   118.86186    -0.98437
   29    24 S   S    _SG2    35     1.83100   111.92783   -67.31384
   30    27 S   CT   _CA3    26     1.45449   123.49398   175.02240
   31    30 S   HC   HA31    27     1.09521   109.26065    23.70123
   32    30 S   HC   HA32    28     1.09496   107.11099   140.70212
   33    29 S   CT   _C15    36     1.86809   100.48909   141.00123
   34    33 S   HC   _H3_    37     1.09684   106.77081    18.74421
   35    30 S   CO3  _C3_    29     1.52930   113.12447   -99.79891
   36    35 S   O2Z  _O31    30     1.26404   115.42167   -44.36144
   37    35 S   O2Z  _O32    31     1.26361   114.98507   136.58903
   38    33 S   CT   _C14    38     1.56765   107.80793   -96.95270
   39    38 S   HC   _H32    39     1.09136   109.07106   -62.43491
   40    33 S   CT   _C16    64     1.57664   109.99319   134.84622
   41    38 S   CT   _C13    40     1.54135   118.06873   169.47329
   42    41 S   HC   _H31    41     1.08988   114.00687    29.53401
   43    40 S   CT   _C18    65     1.54725   111.33756   -55.65069
   44    43 S   HC   _H37    66     1.09638   110.87392   -51.15363
   45    43 S   HC   _H38    67     1.09707   110.33886  -168.49902
   46    43 S   HC   _H39    68     1.09388   113.09077    70.92677
   47    40 S   OH   _O18    69     1.43235   108.34575  -168.90183
   48    47 S   HO   _H40    70     0.97268   108.43168    58.27982
   49    41 S   CM   _C6_    42     1.49333    99.73073   -88.09939
   50    41 S   CT   _C12    49     1.55675   112.52643   155.56926
   51    50 S   HC   _H29    50     1.09844   109.83025   146.14764
   52    50 S   HC   _H30    51     1.09782   110.15852    29.93992
   53    49 S   CO4  _C7_    43     1.47122   108.75669   -26.41368
   54    53 S   O    _O16    44     1.21643   127.74325  -169.00540
   55    49 S   CM   _C8_    46     1.33505   128.54178   151.13988
   56    55 S   HC   _H21    47     1.08490   120.73566     1.49371
   57    55 S   HC   _H22    48     1.08505   121.67459  -178.69419
   58    50 S   CT   _C10    52     1.54416   114.84903   -93.71252
   59    58 S   HC   _H25    53     1.09822   108.32910   -71.71698
   60    58 S   HC   _H26    54     1.09692   109.55423   173.77269
   61    38 S   OS   _O17    45     1.45565   109.02649    52.61846
   62    58 S   CM   _C5_    55     1.50961   113.20680    50.80792
   63    62 S   CM   _C4_    56     1.34556   118.27224   -92.62369
   64    63 S   HC   _H20    57     1.08938   117.97054    -6.85443
   65    62 S   CT   _C17    71     1.50171   116.21832    82.61474
   66    65 S   HC   _H34    72     1.09376   110.98608   -54.82699
   67    65 S   HC   _H35    73     1.09304   112.93871  -175.73823
   68    65 S   HC   _H36    74     1.09510   109.76239    64.55541
   69    63 S   CT   _C9_    58     1.49590   127.38705   163.43704
   70    69 S   HC   _H23    59     1.09599   110.41309    49.67377
   71    69 S   HC   _H24    60     1.09688   108.86434   165.32939
   72    69 S   CT   _C11    61     1.54074   112.46436   -73.29630
   73    72 S   HC   _H27    62     1.09608   108.52623    68.72721
   74    72 S   HC   _H28    63     1.09891   106.48605   179.45643
  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
  20   8   2   1   1  16   7  15  15   8   9   4   3   2   5   1
  10  11   5   4   5   2   3   1   1  10   4   3   1  10  11   5
   4   2   1   1   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    61    72    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    53    61    50    69    72    73    74    40    43    44    45    46    47    48  
   38    39    41    61    72    40    43    47  
   36    37  
   37  
    0  
   39    41    42    49    53    54    61    55    50    51    52    58    72    40    43    47  
   41    42    49    53    61    50    40  
   43    44    45    46    47    48    41    61    63    69    70    71    72    73    74  
   42    49    53    54    61    55    56    57    50    51    52    58    59    60    62  
   49    53    61    55    50    51    52    58  
   44    45    46    47    48    69    72    73    74  
   45    46    47    72  
   46    47    72  
   47    72  
   48    69    72    73    74  
   72  
   53    54    61    55    56    57    50    51    52    58  
   51    52    58    59    60    62    63    65    53    55    61  
   52    58    59    60    62  
   58    59    60    62  
   54    61    55    56    57  
   61    55  
   56    57    61  
   57  
    0  
   59    60    62    63    64    69    65    66    67    68  
   60    62    63    65  
   62    63    65  
    0  
   63    64    69    70    71    72    65    66    67    68  
   64    69    70    71    72    73    74    65    66    67    68  
   69    70    71    72    65  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    61   320.000  1.410
   41    42   340.000  1.090
   41    49   317.000  1.510
   41    50   268.000  1.529
   49    53   320.000  1.462
   49    55   549.000  1.340
   53    54   570.000  1.229
   53    61   214.000  1.327
   55    56   340.000  1.080
   55    57   340.000  1.080
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   317.000  1.510
   62    63   549.000  1.340
   62    65   317.000  1.510
   63    64   340.000  1.080
   63    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    40   268.000  1.529
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    61    50.00000  109.50000
   33    40    72    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    49    70.00000  112.02700
   38    41    50    58.35000  112.70000
   38    61    53    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    49    53    65.00000  116.34900
   41    49    55    70.00000  124.00000
   41    50    51    37.50000  110.70000
   41    50    52    37.50000  110.70000
   41    50    58    58.35000  112.70000
   49    41    42    35.00000  109.50000
   49    53    54    80.00000  123.72100
   49    53    61    90.00000  111.29400
   49    55    56    35.00000  120.00000
   49    55    57    35.00000  120.00000
   61    38    39    35.00000  109.50000
   61    38    41    50.00000  109.50000
   61    53    54    83.00000  123.40000
   55    49    53    65.00000  118.96000
   57    55    56    35.00000  117.00000
   50    41    42    37.50000  110.70000
   50    41    49    70.00000  112.02700
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    62    70.00000  112.02700
   52    50    51    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    52    37.50000  110.70000
   58    62    63    70.00000  124.00000
   58    62    65    65.00000  117.92700
   60    58    59    33.00000  107.80000
   62    58    59    35.00000  109.50000
   62    58    60    35.00000  109.50000
   62    63    64    35.00000  120.00000
   62    63    69    70.00000  124.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   63    69    70    35.00000  109.50000
   63    69    71    35.00000  109.50000
   63    69    72    70.00000  112.02700
   69    63    64    35.00000  117.00000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    40    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    40    43    58.35000  112.70000
   72    40    47    50.00000  109.50000
   74    72    73    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    72    73    37.50000  110.70000
   40    72    74    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
   65    62    63    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    61   0.56750  1.0 1.0
   29    33    38    61  -0.07550 -1.0 2.0
   29    33    38    61   0.20000  1.0 3.0
   29    33    40    72   0.44750  1.0 1.0
   29    33    40    72  -0.17800 -1.0 2.0
   29    33    40    72   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    49   0.34400  1.0 1.0
   33    38    41    49   0.09450 -1.0 2.0
   33    38    41    49   0.11100  1.0 3.0
   33    38    41    50   0.56750  1.0 1.0
   33    38    41    50  -0.07550 -1.0 2.0
   33    38    41    50   0.20000  1.0 3.0
   33    38    61    53  -0.25900  1.0 1.0
   33    38    61    53  -0.47000 -1.0 2.0
   33    38    61    53   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    61   0.23400  1.0 3.0
   34    33    40    72   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    72   0.56750  1.0 1.0
   38    33    40    72  -0.07550 -1.0 2.0
   38    33    40    72   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    47   0.86500  1.0 1.0
   38    33    40    47  -0.17500 -1.0 2.0
   38    33    40    47   0.20800  1.0 3.0
   38    41   -49    53   0.09700  1.0 1.0
   38    41   -49    53   0.15600 -1.0 2.0
   38    41   -49    53  -0.50800  1.0 3.0
   38    41    49    55   0.09850  1.0 1.0
   38    41    49    55   0.15250 -1.0 2.0
   38    41    49    55  -0.50650  1.0 3.0
   38    41    50    51   0.15000  1.0 3.0
   38    41    50    52   0.15000  1.0 3.0
   38    41    50    58   0.56750  1.0 1.0
   38    41    50    58  -0.07550 -1.0 2.0
   38    41    50    58   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    41    50   0.15000  1.0 3.0
   39    38    61    53   0.08050  1.0 3.0
   41    38   -61    53  -0.25900  1.0 1.0
   41    38   -61    53  -0.47000 -1.0 2.0
   41    38   -61    53   0.11750  1.0 3.0
   41    49    53    54  -0.64400  1.0 1.0
   41    49    53    54   0.26850 -1.0 2.0
   41    49   -53    61  -0.15000  1.0 1.0
   41    49   -53    61   0.89550 -1.0 2.0
   41    49   -53    61  -0.06900  1.0 3.0
   41    49    55    56   7.00000 -1.0 2.0
   41    49    55    57   7.00000 -1.0 2.0
   41    50    58    59   0.15000  1.0 3.0
   41    50    58    60   0.15000  1.0 3.0
   41    50    58    62   0.34400  1.0 1.0
   41    50    58    62   0.09450 -1.0 2.0
   41    50    58    62   0.11100  1.0 3.0
   42    41    49    53   0.15000  1.0 3.0
   42    41    49    55   0.00000  1.0 1.0
   42    41    50    51   0.15000  1.0 3.0
   42    41    50    52   0.15000  1.0 3.0
   42    41    50    58   0.15000  1.0 3.0
   49    41    50    51   0.15000  1.0 3.0
   49    41    50    52   0.15000  1.0 3.0
   49    41    50    58   0.34400  1.0 1.0
   49    41    50    58   0.09450 -1.0 2.0
   49    41    50    58   0.11100  1.0 3.0
   49    53   -61    38   2.00000 -1.0 2.0
   53    49    55    56   7.00000 -1.0 2.0
   53    49    55    57   7.00000 -1.0 2.0
   54    53    61    38   3.00000 -1.0 2.0
   61    38    41    42   0.23400  1.0 3.0
   61    38   -41    49   0.61850  1.0 1.0
   61    38   -41    49  -0.22750 -1.0 2.0
   61    38   -41    49   0.15300  1.0 3.0
   61    38    41    50   0.62750  1.0 1.0
   61    38    41    50  -0.30950 -1.0 2.0
   61    38    41    50   0.27300  1.0 3.0
   55    49    53    54   1.00000 -1.0 2.0
   55    49    53    61  -0.56150  1.0 1.0
   55    49    53    61   2.19150 -1.0 2.0
   50    41    49    53   0.09700  1.0 1.0
   50    41    49    53   0.15600 -1.0 2.0
   50    41    49    53  -0.50800  1.0 3.0
   50    41    49    55   0.09850  1.0 1.0
   50    41    49    55   0.15250 -1.0 2.0
   50    41    49    55  -0.50650  1.0 3.0
   50    58    62    63   0.09850  1.0 1.0
   50    58    62    63   0.15250 -1.0 2.0
   50    58    62    63  -0.50650  1.0 3.0
   50    58    62    65   0.46850  1.0 1.0
   50    58    62    65   0.08550 -1.0 2.0
   50    58    62    65   0.09800  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    62   0.15000  1.0 3.0
   52    50    58    59   0.15000  1.0 3.0
   52    50    58    60   0.15000  1.0 3.0
   52    50    58    62   0.15000  1.0 3.0
   58    62    63    64   7.00000 -1.0 2.0
   58    62    63    69   7.00000 -1.0 2.0
   58    62    65    66   0.34800  1.0 3.0
   58    62    65    67   0.34800  1.0 3.0
   58    62    65    68   0.34800  1.0 3.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    65   0.34800  1.0 3.0
   60    58    62    63   0.00000  1.0 1.0
   60    58    62    65   0.34800  1.0 3.0
   62    63    69    70   0.00000  1.0 1.0
   62    63    69    71   0.00000  1.0 1.0
   62    63    69    72   0.09850  1.0 1.0
   62    63    69    72   0.15250 -1.0 2.0
   62    63    69    72  -0.50650  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   63    69    72    73   0.15000  1.0 3.0
   63    69    72    74   0.15000  1.0 3.0
   63    69    72    40   0.34400  1.0 1.0
   63    69    72    40   0.09450 -1.0 2.0
   63    69    72    40   0.11100  1.0 3.0
   64    63    69    70   0.33100  1.0 3.0
   64    63    69    71   0.33100  1.0 3.0
   64    63    69    72   0.00000  1.0 1.0
   69    72    40    33   0.56750  1.0 1.0
   69    72    40    33  -0.07550 -1.0 2.0
   69    72    40    33   0.20000  1.0 3.0
   69    72    40    43   0.56750  1.0 1.0
   69    72    40    43  -0.07550 -1.0 2.0
   69    72    40    43   0.20000  1.0 3.0
   69    72    40    47   0.86500  1.0 1.0
   69    72    40    47  -0.17500 -1.0 2.0
   69    72    40    47   0.20800  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    40   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    40   0.15000  1.0 3.0
   72    40    43    44   0.15000  1.0 3.0
   72    40    43    45   0.15000  1.0 3.0
   72    40    43    46   0.15000  1.0 3.0
   72    40    47    48  -0.11600  1.0 1.0
   72    40    47    48  -0.09450 -1.0 2.0
   72    40    47    48   0.21250  1.0 3.0
   73    72    40    33   0.15000  1.0 3.0
   73    72    40    43   0.15000  1.0 3.0
   73    72    40    47   0.23400  1.0 3.0
   74    72    40    33   0.15000  1.0 3.0
   74    72    40    43   0.15000  1.0 3.0
   74    72    40    47   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.56750  1.0 1.0
   40    33    38    41  -0.07550 -1.0 2.0
   40    33    38    41   0.20000  1.0 3.0
   40    33    38    61   0.62750  1.0 1.0
   40    33    38    61  -0.30950 -1.0 2.0
   40    33    38    61   0.27300  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  1.0 3.0
   65    62    63    64   7.00000 -1.0 2.0
   65    62    63    69   7.00000 -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
   41    53    49    55   1.10000 -1.0 2.0
   49    61    53    54  10.50000 -1.0 2.0
   56    57    55    49   1.10000 -1.0 2.0
   58    65    62    63   1.10000 -1.0 2.0
   69    64    63    62   1.10000 -1.0 2.0
END
