* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    130    208     385
    1     0 S   NP   _N1_     1    29.06364    94.35104   -23.84480
    2     1 S   H    _HN1     2     1.02785   109.90989   -89.92490
    3     1 S   H    _H1_     3     1.02951    82.22759    16.85705
    4     1 S   H    _H2_     4     1.02829    25.97602   179.93439
    5     1 S   CT   _CA1     5     1.50115   128.50145   126.79757
    6     5 S   HC   _HA1     6     1.09574   105.19740    81.22115
    7     5 S   CO3  _C1_     7     1.53790   112.45587   -39.01249
    8     7 S   O2Z  _O11     8     1.26374   115.00649   -42.54729
    9     7 S   O2Z  _O12     9     1.26240   114.94777   136.58507
   10     5 S   CT   _CB1    10     1.53078   107.42466  -160.79570
   11    10 S   HC   HB11    11     1.09833   109.37252   -49.75827
   12    10 S   HC   HB12    12     1.09814   110.44410    66.84916
   13    10 S   CT   _CG1    13     1.52994   112.60699  -170.74335
   14    13 S   HC   HG11    14     1.09584   110.61424   -65.51614
   15    13 S   HC   HG12    15     1.09672   109.79784    53.71344
   16    13 S   C    _CD1    16     1.51804   112.24193   174.16377
   17    16 S   O    _OE1    17     1.22713   123.23109     6.35977
   18    16 S   N    _N2_    18     1.38632   111.62617  -173.76955
   19    18 S   H    _HN2    19     1.01572   118.92048     1.70582
   20    18 S   CT1  _CA2    20     1.46264   123.45922   177.41101
   21    20 S   HC   _HA2    21     1.09539   109.26664     0.12195
   22    20 S   C    _C2_    22     1.53496   107.96326  -115.08789
   23    22 S   O    _O2_    23     1.23022   122.50626  -143.85918
   24    20 S   CT   _CB2    32     1.53283   111.50603   122.83948
   25    24 S   HC   HB21    33     1.09658   109.65245    57.61665
   26    24 S   HC   HB22    34     1.09423   111.19838   174.94049
   27    22 S   N    _N3_    24     1.38423   113.47914    42.91824
   28    27 S   H    _HN3    25     1.01587   119.50965    -2.07971
   29    24 S   S    _SG2    35     1.82953   113.57332   -61.60136
   30    27 S   CT   _CA3    26     1.45277   123.20118   177.50770
   31    30 S   HC   HA31    27     1.09544   107.36189   -69.05065
   32    30 S   HC   HA32    28     1.09559   108.16650    47.41114
   33    29 S   S    _S22    36     2.05365   103.11163   -71.40252
   34    30 S   CO3  _C3_    29     1.52966   114.12890   169.58930
   35    34 S   O2Z  _O31    30     1.26374   116.13217     0.84858
   36    34 S   O2Z  _O32    31     1.26451   114.40867  -179.04141
   37    33 S   CT   _C14    37     1.86483   106.57813   -92.32375
   38    37 S   C    _C9_    38     1.54660   105.40247  -179.01802
   39    38 S   O    _O17    39     1.23339   121.29187    82.28262
   40    37 S   N    _N15    61     1.49151   113.67877    60.59494
   41    37 S   CT   _C16    66     1.55563   106.84589   -65.50010
   42    41 S   HC   _H33    67     1.09432   112.57010    67.72710
   43    41 S   HC   _H34    68     1.09697   111.57546   -53.33323
   44    38 S   N    _N14    40     1.38520   115.69850   -94.53586
   45    40 S   CT   _C15    62     1.46378   119.62430   -98.90902
   46    45 S   HC   _H30    63     1.09260   109.07371   -69.90052
   47    45 S   HC   _H31    64     1.09330   111.91014   171.39775
   48    45 S   HC   _H32    65     1.09021   110.53424    51.00626
   49    41 S   OH   _O19    69     1.42890   110.64228  -172.20973
   50    49 S   HO   _H36    70     0.97246   107.02945   176.74887
   51    44 S   CT   _C12    41     1.47237   122.65247  -165.81279
   52    51 S   HC   _H29    42     1.09848   105.70474    60.45926
   53    51 S   CM   _C7_    43     1.50882   102.05085   174.97114
   54    53 S   CM   _C5_    44     1.33900   123.16818   148.61250
   55    54 S   HC   _H24    45     1.08424   121.63995  -174.88607
   56    53 S   CT   _C10    54     1.49778   109.21276   -20.39036
   57    56 S   HC   _H26    55     1.09597   113.48873   156.56204
   58    56 S   HC   _H27    56     1.09832   108.22032   -84.14798
   59    54 S   CM   _C4_    46     1.44198   119.89419    -0.62401
   60    59 S   HC   _H23    47     1.08448   118.02950   170.14779
   61    44 S   CT   _C13    57     1.46879   124.43708    10.04655
   62    61 S   SM   _S21    58     1.83989   113.90805    87.20308
   63    59 S   CM   _C6_    48     1.34229   120.90871   -14.76374
   64    63 S   HC   _H25    49     1.08621   119.17291  -175.49228
   65    61 S   C    _C8_    59     1.52611   111.29702   -38.36566
   66    65 S   O    _O16    60     1.23505   120.63084  -156.46359
   67    51 S   CT   _C11    50     1.54832   116.20068   -61.98416
   68    67 S   HC   _H28    51     1.09638   111.06927   -23.83225
   69    67 S   OH   _O18    52     1.43014   108.33600    94.58240
   70    69 S   HO   _H35    53     0.97220   107.34854  -164.14782
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  11   2   1   1  17  16   5  14   7   3   2  15   6   3   2   1
   1   1  17   8  14  10   4   8   4   3   6   3   4   2   5   3
   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    65    40    45    41    42    43    49  
   35    36  
   36  
    0  
   38    39    44    51    61    65    66    40    45    46    47    48    41    42    43    49    50  
   39    44    51    52    53    67    56    61    62    65    40    45    41    42    43    49  
   44    51    61    40    41  
   45    46    47    48    41    42    43    49    44    56    61    62    65    66  
   42    43    49    50    44    45    65  
   43    49    50  
   49    50  
   51    52    53    54    63    67    68    69    56    57    58    61    62    65    66  
   46    47    48    61    65    66  
   47    48    65  
   48    65  
   65  
   50  
    0  
   52    53    54    55    59    63    64    67    68    69    70    56    57    58    61    62    65  
   53    54    63    67    68    69    56    61  
   54    55    59    60    63    67    68    69    56    57    58    61    62    65  
   55    59    60    63    64    67    56    57    58    61  
   59    60    63    56  
   57    58    61    62    65    66    59    67  
   58    61    62    65  
   61    62    65  
   60    63    64    67    68    69  
   63    64    67  
   62    65    66    67  
   65    66  
   64    67    68    69    70  
   67    68    69  
   66  
    0  
   68    69    70  
   69    70  
   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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.340000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   45   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.022500   1.9750   1.7500   0.005000000  -0.741685710
   62   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   166.000  2.038
   33    37   222.000  1.810
   37    38   317.000  1.522
   37    40   337.000  1.449
   37    41   268.000  1.529
   38    39   570.000  1.229
   38    44   490.000  1.335
   44    51   337.000  1.449
   44    61   337.000  1.449
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    67   268.000  1.529
   53    54   549.000  1.340
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    59   380.000  1.444
   59    60   340.000  1.080
   59    63   549.000  1.340
   63    64   340.000  1.080
   63    67   317.000  1.510
   67    68   340.000  1.090
   67    69   320.000  1.410
   69    70   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   222.000  1.810
   61    65   317.000  1.522
   65    66   570.000  1.229
   65    40   490.000  1.335
   40    45   337.000  1.449
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   320.000  1.410
   49    50   553.000  0.945
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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    70.00000  112.33000
   33    37    40    80.00000  108.62000
   33    37    41    75.00000  111.63000
   37    38    39    80.00000  120.40000
   37    38    44    70.00000  116.60000
   37    40    65    50.00000  121.90000
   37    40    45    50.00000  118.00000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    49    50.00000  109.50000
   38    44    51    50.00000  121.90000
   38    44    61    50.00000  121.90000
   44    38    39    80.00000  122.90000
   44    51    52    35.00000  109.50000
   44    51    53    75.00000  110.78400
   44    51    67    70.00000  110.72300
   44    61    56    70.00000  110.72300
   44    61    62    80.00000  108.62000
   44    61    65    75.00000  110.24000
   51    53    54    70.00000  124.00000
   51    53    56    65.00000  117.92700
   51    67    63    70.00000  112.02700
   51    67    68    37.50000  110.70000
   51    67    69    50.00000  109.50000
   53    51    52    35.00000  109.50000
   53    54    55    35.00000  120.00000
   53    54    59    70.00000  123.01800
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    61    70.00000  112.02700
   54    59    60    35.00000  120.00000
   54    59    63    70.00000  123.01800
   59    54    55    35.00000  120.00000
   59    63    64    35.00000  120.00000
   59    63    67    70.00000  124.00000
   63    59    60    35.00000  120.00000
   63    67    68    35.00000  109.50000
   63    67    69    90.00000  110.39200
   67    51    52    37.50000  110.70000
   67    51    53    70.00000  112.02700
   67    63    64    35.00000  117.00000
   67    69    70    55.00000  108.50000
   69    67    68    35.00000  109.50000
   56    53    54    70.00000  124.00000
   56    61    62    75.00000  111.63000
   56    61    65    63.00000  111.10000
   58    56    57    33.00000  107.80000
   61    44    51    50.00000  118.00000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    65    66    80.00000  120.40000
   61    65    40    70.00000  116.60000
   65    61    62    70.00000  112.33000
   65    40    45    50.00000  121.90000
   40    37    38    75.00000  110.24000
   40    65    66    80.00000  122.90000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   41    37    38    63.00000  111.10000
   41    37    40    70.00000  110.72300
   41    49    50    55.00000  108.50000
   43    41    42    33.00000  107.80000
   49    41    42    35.00000  109.50000
   49    41    43    35.00000  109.50000
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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.09450  1.0 1.0
   29    33    37    38  -0.17100 -1.0 2.0
   29    33    37    38   0.39050  1.0 3.0
   29    33    37    40   0.00000  1.0 1.0
   29    33    37    41   0.09450  1.0 1.0
   29    33    37    41  -0.17100 -1.0 2.0
   29    33    37    41   0.39100  1.0 3.0
   33    37    38    39   0.30150 -1.0 2.0
   33    37    38    44   0.00000  1.0 1.0
   33    37    40    65  -0.42300  1.0 1.0
   33    37    40    65  -0.07000 -1.0 2.0
   33    37    40    65   0.04150  1.0 3.0
   33    37    40    45   0.17850 -1.0 2.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    43   0.15000  1.0 3.0
   33    37    41    49   0.56750  1.0 1.0
   33    37    41    49  -0.07550 -1.0 2.0
   33    37    41    49   0.20000  1.0 3.0
   37    38    44    51   1.49850  1.0 1.0
   37    38    44    51   1.53950 -1.0 2.0
   37    38    44    61   1.49850  1.0 1.0
   37    38    44    61   1.53950 -1.0 2.0
   37    40    45    46   0.00000  1.0 1.0
   37    40    45    47   0.00000  1.0 1.0
   37    40    45    48   0.00000  1.0 1.0
   37    41    49    50  -0.11600  1.0 1.0
   37    41    49    50  -0.09450 -1.0 2.0
   37    41    49    50   0.21250  1.0 3.0
   38    37    40    65  -0.42300  1.0 1.0
   38    37    40    65  -0.07000 -1.0 2.0
   38    37    40    65   0.04150  1.0 3.0
   38    37    40    45   0.17850 -1.0 2.0
   38    37    41    42  -0.11250  1.0 3.0
   38    37    41    43  -0.11250  1.0 3.0
   38    37    41    49  -0.09450  1.0 1.0
   38    37    41    49  -1.12950 -1.0 2.0
   38    37    41    49   0.54000  1.0 3.0
   38    44    51    52   0.00000  1.0 1.0
   38    44    51    53  -0.19250  1.0 1.0
   38    44    51    53  -0.00500 -1.0 2.0
   38    44    51    53   0.17000  1.0 3.0
   38    44    51    67  -0.43950  1.0 1.0
   38    44    51    67  -0.08100 -1.0 2.0
   38    44    51    67   0.03350  1.0 3.0
   38    44    61    56  -0.43950  1.0 1.0
   38    44    61    56  -0.08100 -1.0 2.0
   38    44    61    56   0.03350  1.0 3.0
   38    44    61    62  -0.42300  1.0 1.0
   38    44    61    62  -0.07000 -1.0 2.0
   38    44    61    62   0.04150  1.0 3.0
   38    44   -61    65  -0.42300  1.0 1.0
   38    44   -61    65  -0.07000 -1.0 2.0
   38    44   -61    65   0.04150  1.0 3.0
   39    38    44    51   3.04450 -1.0 2.0
   39    38    44    61   3.04450 -1.0 2.0
   44    51    53    54   0.62150  1.0 1.0
   44    51    53    54   0.42850 -1.0 2.0
   44    51    53    54  -0.68200  1.0 3.0
   44    51   -53    56   0.09700  1.0 1.0
   44    51   -53    56   0.15600 -1.0 2.0
   44    51   -53    56  -0.50800  1.0 3.0
   44    51    67    63   0.21700  1.0 1.0
   44    51    67    63   0.68550 -1.0 2.0
   44    51    67    63  -0.27950  1.0 3.0
   44    51    67    68   0.15000  1.0 3.0
   44    51    67    69   2.76900  1.0 1.0
   44    51    67    69  -0.24350 -1.0 2.0
   44    51    67    69  -0.78250  1.0 3.0
   44    61    65    66   0.30150 -1.0 2.0
   44    61    65    40   0.00000  1.0 1.0
   51    44   -61    56  -0.05900 -1.0 2.0
   51    44    61    62   0.17850 -1.0 2.0
   51    44    61    65   0.17850 -1.0 2.0
   51    53    54    55   7.00000 -1.0 2.0
   51    53    54    59   7.00000 -1.0 2.0
   51    53    56    57   0.34800  1.0 3.0
   51    53    56    58   0.34800  1.0 3.0
   51    53   -56    61   0.46850  1.0 1.0
   51    53   -56    61   0.08550 -1.0 2.0
   51    53   -56    61   0.09800  1.0 3.0
   51    67    69    70  -0.11600  1.0 1.0
   51    67    69    70  -0.09450 -1.0 2.0
   51    67    69    70   0.21250  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    56   0.34800  1.0 3.0
   52    51    67    63   0.15000  1.0 3.0
   52    51    67    68   0.15000  1.0 3.0
   52    51    67    69   0.23400  1.0 3.0
   53    51    67    63   0.31000  1.0 1.0
   53    51    67    63   0.14700 -1.0 2.0
   53    51    67    63   0.07550  1.0 3.0
   53    51    67    68   0.15000  1.0 3.0
   53    51    67    69   1.05650  1.0 1.0
   53    51    67    69   0.15600 -1.0 2.0
   53    51    67    69   0.53150  1.0 3.0
   53    54    59    60  -0.18600  1.0 3.0
   53    54   -59    63   0.28850  1.0 1.0
   53    54   -59    63   2.61350 -1.0 2.0
   53    54   -59    63   0.78400  1.0 3.0
   53    56   -61    44   0.21700  1.0 1.0
   53    56   -61    44   0.68550 -1.0 2.0
   53    56   -61    44  -0.27950  1.0 3.0
   53    56    61    62   0.56750  1.0 1.0
   53    56    61    62  -0.07550 -1.0 2.0
   53    56    61    62   0.20000  1.0 3.0
   53    56    61    65  -0.98800  1.0 1.0
   53    56    61    65   0.48800 -1.0 2.0
   53    56    61    65   0.76800  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    61   0.09850  1.0 1.0
   54    53    56    61   0.15250 -1.0 2.0
   54    53    56    61  -0.50650  1.0 3.0
   54    59    63    64   7.00000 -1.0 2.0
   54    59    63    67   7.00000 -1.0 2.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    63  -0.18600  1.0 3.0
   59    63   -67    51   0.09850  1.0 1.0
   59    63   -67    51   0.15250 -1.0 2.0
   59    63   -67    51  -0.50650  1.0 3.0
   59    63    67    68   0.00000  1.0 1.0
   59    63    67    69   0.67800  1.0 1.0
   59    63    67    69   0.47050 -1.0 2.0
   59    63    67    69  -0.62500  1.0 3.0
   60    59    63    64   7.00000 -1.0 2.0
   60    59    63    67   7.00000 -1.0 2.0
   63    67    69    70  -0.07800  1.0 1.0
   63    67    69    70  -0.21500 -1.0 2.0
   63    67    69    70  -0.03150  1.0 3.0
   64    63    67    51   0.00000  1.0 1.0
   64    63    67    68   0.33100  1.0 3.0
   64    63    67    69   0.00000  1.0 1.0
   67    51   -53    54   0.09850  1.0 1.0
   67    51   -53    54   0.15250 -1.0 2.0
   67    51   -53    54  -0.50650  1.0 3.0
   67    51    53    56   0.46850  1.0 1.0
   67    51    53    56   0.08550 -1.0 2.0
   67    51    53    56   0.09800  1.0 3.0
   68    67    69    70   0.19450  1.0 3.0
   56    53    54    55   7.00000 -1.0 2.0
   56    53    54    59   7.00000 -1.0 2.0
   56    61    65    66   0.30150 -1.0 2.0
   56    61    65    40   1.39750  1.0 1.0
   56    61    65    40  -0.07950 -1.0 2.0
   56    61    65    40  -0.18750  1.0 3.0
   57    56    61    44   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    65  -0.11250  1.0 3.0
   58    56    61    44   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    65  -0.11250  1.0 3.0
   61    44    51    52   0.00000  1.0 1.0
   61    44   -51    53   0.17850 -1.0 2.0
   61    44    51    67  -0.05900 -1.0 2.0
   61    65   -40    37   1.49850  1.0 1.0
   61    65   -40    37   1.53950 -1.0 2.0
   61    65    40    45   1.49850  1.0 1.0
   61    65    40    45   1.53950 -1.0 2.0
   62    61    65    66   0.30150 -1.0 2.0
   62    61    65    40   0.00000  1.0 1.0
   65    40    45    46   0.00000  1.0 1.0
   65    40    45    47   0.00000  1.0 1.0
   65    40    45    48   0.00000  1.0 1.0
   66    65    40    37   3.04450 -1.0 2.0
   66    65    40    45   3.04450 -1.0 2.0
   40    37    38    39   0.30150 -1.0 2.0
   40    37   -38    44   0.00000  1.0 1.0
   40    37    41    42   0.15000  1.0 3.0
   40    37    41    43   0.15000  1.0 3.0
   40    37    41    49   2.76900  1.0 1.0
   40    37    41    49  -0.24350 -1.0 2.0
   40    37    41    49  -0.78250  1.0 3.0
   41    37    38    39   0.30150 -1.0 2.0
   41    37    38    44   1.39750  1.0 1.0
   41    37    38    44  -0.07950 -1.0 2.0
   41    37    38    44  -0.18750  1.0 3.0
   41    37    40    65  -0.43950  1.0 1.0
   41    37    40    65  -0.08100 -1.0 2.0
   41    37    40    65   0.03350  1.0 3.0
   41    37    40    45  -0.05900 -1.0 2.0
   42    41    49    50   0.19450  1.0 3.0
   43    41    49    50   0.19450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    44    38    39  10.50000 -1.0 2.0
   61    38    44    51   1.00000 -1.0 2.0
   51    56    53    54   1.10000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   54    60    59    63   1.10000 -1.0 2.0
   67    64    63    59   1.10000 -1.0 2.0
   61    40    65    66  10.50000 -1.0 2.0
   45    65    40    37   1.00000 -1.0 2.0
END
