* LIGAND DATABASE FILE (OPLS2005)
*
001      67    70    134    221     400
    1     0 S   NP   _N1_     1    28.71292    96.28842   -23.71340
    2     1 S   H    _HN1     2     1.02784   106.40657   -86.74366
    3     1 S   H    _H1_     3     1.02951    72.19387    17.75859
    4     1 S   H    _H2_     4     1.02827    37.61010   175.05458
    5     1 S   CT   _CA1     5     1.50111   137.42237   118.79323
    6     5 S   HC   _HA1     6     1.09574   105.19880    92.09750
    7     5 S   CO3  _C1_     7     1.53777   112.44401   -28.13820
    8     7 S   O2Z  _O11     8     1.26371   114.99959   -43.06803
    9     7 S   O2Z  _O12     9     1.26237   114.93187   136.04813
   10     5 S   CT   _CB1    10     1.53074   107.41880  -149.93689
   11    10 S   HC   HB11    11     1.09834   109.34693   -49.93977
   12    10 S   HC   HB12    12     1.09813   110.46009    66.65582
   13    10 S   CT   _CG1    13     1.52993   112.61628  -170.92762
   14    13 S   HC   HG11    14     1.09586   110.63229   -65.85245
   15    13 S   HC   HG12    15     1.09670   109.79458    53.38906
   16    13 S   C    _CD1    16     1.51798   112.20153   173.82073
   17    16 S   O    _OE1    17     1.22731   123.28415     6.84719
   18    16 S   N    _N2_    18     1.38650   111.67908  -173.23946
   19    18 S   H    _HN2    19     1.01583   118.92370     1.70376
   20    18 S   CT1  _CA2    20     1.46210   123.36662   177.43692
   21    20 S   HC   _HA2    21     1.09736   109.41380     1.99213
   22    20 S   C    _C2_    22     1.53539   108.54357  -113.50326
   23    22 S   O    _O2_    23     1.23054   122.28867  -147.55438
   24    20 S   CT   _CB2    32     1.53387   111.49949   124.07947
   25    24 S   HC   HB21    33     1.09415   109.72526    57.16192
   26    24 S   HC   HB22    34     1.09489   109.81291   175.71367
   27    22 S   N    _N3_    24     1.38328   113.67537    39.85449
   28    27 S   H    _HN3    25     1.01589   119.57818    -3.31694
   29    24 S   S    _SG2    35     1.83147   111.13127   -65.29436
   30    27 S   CT   _CA3    26     1.45287   123.22133   177.14748
   31    30 S   HC   HA31    27     1.09549   107.50618   -64.67304
   32    30 S   HC   HA32    28     1.09556   107.99163    51.76934
   33    29 S   CT   _C15    36     1.86566   102.22376   161.13348
   34    30 S   CO3  _C3_    29     1.52962   114.06977   173.76190
   35    34 S   O2Z  _O31    30     1.26377   116.05994    -0.88093
   36    34 S   O2Z  _O32    31     1.26427   114.41572   179.18315
   37    33 S   CM   _C5_    37     1.51542   109.72777    54.56261
   38    37 S   HC   _H19    38     1.08533   120.00374   -57.17128
   39    33 S   CT   _C7_    65     1.52946   108.83407   -72.13427
   40    39 S   HC   _H20    66     1.09533   112.51399   157.22417
   41    39 S   HC   _H21    67     1.09259   114.50955    32.41652
   42    37 S   CM   _C4_    39     1.34561   121.13313   121.93269
   43    42 S   HC   _H18    40     1.08530   120.37649  -177.62776
   44    42 S   CT   _C13    41     1.51379   120.98875     4.54597
   45    44 S   HC   _H32    42     1.09557   109.54599   156.21973
   46    44 S   CT   _C11    43     1.52209   108.32235    33.96956
   47    46 S   HC   _H28    44     1.09582   113.61535    51.76064
   48    46 S   HC   _H29    45     1.09721   112.46344   172.37154
   49    33 S   CT   _C16    46     1.56076   111.27659   178.74212
   50    49 S   CT   _C14    47     1.55164   116.56355   -50.00739
   51    50 S   HC   _H33    48     1.09334   111.96157    32.76064
   52    49 S   OS   _O16    62     1.42227   105.42234    80.14352
   53    50 S   CT   _C10    49     1.53820   113.39990   152.88825
   54    53 S   HC   _H26    50     1.09696   110.80257    51.25861
   55    53 S   HC   _H27    51     1.09652   110.21019   -66.13370
   56    52 S   CO4  _C6_    63     1.36967   108.98042    25.76178
   57    56 S   O    _O15    64     1.22140   124.32550   173.22219
   58    53 S   CT   _C8_    52     1.52707   111.23100   172.60981
   59    58 S   HC   _H22    53     1.09645   109.08440  -163.47237
   60    58 S   HC   _H23    54     1.09688   109.81366    80.52188
   61    58 S   CT   _C9_    55     1.52895   112.57548   -41.09173
   62    61 S   HC   _H24    56     1.09785   109.16915   108.80092
   63    61 S   HC   _H25    57     1.09625   109.63993  -135.27923
   64    61 S   CT   _C12    58     1.52681   112.37581   -12.73093
   65    64 S   HC   _H30    59     1.09638   108.81876   179.60634
   66    64 S   HC   _H31    60     1.09782   109.46267   -63.79316
   67    44 S   NT   _N14    61     1.47850   109.51620   -77.97065
  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  12   5   4   3
  19   2   1   1  14   5   9   5   4  10   4  14   7  10   5   4
  11  14   7   4  10   6   5   1   1   9   5   4   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    49    50    52    56    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    51    53    67    52    56    57    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    45    46    49    50    67    52    56    39    40    41  
   42    43    44    49    39  
   40    41    42    46    49    50    52    56    57  
   41    49    52    56    57  
   49    52    56    57  
   43    44    45    46    47    48    49    50    64    67  
   44    45    46    67  
   45    46    47    48    49    50    51    53    61    64    65    66    67    52  
   46    47    48    49    50    64    67  
   47    48    49    50    51    53    64    67    52    56  
   48    49    50    67    52  
   49    50    67    52  
   50    51    53    54    55    58    64    67    52    56    57  
   51    53    54    55    58    59    60    61    64    65    66    67    52    56  
   53    54    55    58    64    67    52  
   56    57    53    67  
   54    55    58    59    60    61    62    63    64    67  
   55    58    59    60    61    67  
   58    59    60    61    67  
   57  
    0  
   59    60    61    62    63    64    65    66    67  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    67  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67  
   66    67  
   67  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
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  1.510
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    44   317.000  1.510
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    67   382.000  1.448
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   268.000  1.529
   49    52   320.000  1.410
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    67   382.000  1.448
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   382.000  1.448
   52    56   214.000  1.327
   56    57   570.000  1.229
   56    39   317.000  1.522
   39    40   340.000  1.090
   39    41   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  112.20000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    49    46    58.35000  112.70000
   33    49    50    58.35000  112.70000
   33    49    52    50.00000  109.50000
   33    39    56    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    35.00000  120.00000
   37    42    44    70.00000  124.00000
   42    37    38    35.00000  120.00000
   42    44    45    35.00000  109.50000
   42    44    46    70.00000  112.02700
   42    44    67    75.00000  110.70900
   44    42    43    35.00000  117.00000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    67    50    51.80000  107.20000
   44    67    64    51.80000  107.20000
   46    44    45    37.50000  110.70000
   46    49    50    58.35000  112.70000
   46    49    52    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    33    37    70.00000  112.02700
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    50    51    37.50000  110.70000
   49    50    53    58.35000  112.70000
   49    50    67    56.20000  109.47000
   49    52    56    83.00000  116.90000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    58    58.35000  112.70000
   50    67    64    51.80000  107.20000
   53    50    51    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    61    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    56.20000  109.47000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    44    45    35.00000  109.50000
   67    44    46    56.20000  109.47000
   67    50    51    35.00000  109.50000
   67    50    53    56.20000  109.47000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   52    49    50    50.00000  109.50000
   52    56    57    83.00000  123.40000
   52    56    39    81.00000  111.40000
   56    39    40    35.00000  109.50000
   56    39    41    35.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    49    58.35000  112.70000
   39    56    57    80.00000  120.40000
   41    39    40    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    49    46   0.44750  1.0 1.0
   29    33    49    46  -0.17800 -1.0 2.0
   29    33    49    46   0.20200  1.0 3.0
   29    33    49    50   0.44750  1.0 1.0
   29    33    49    50  -0.17800 -1.0 2.0
   29    33    49    50   0.20200  1.0 3.0
   29    33    49    52   0.56750  1.0 1.0
   29    33    49    52  -0.07550 -1.0 2.0
   29    33    49    52   0.20000  1.0 3.0
   29    33    39    56   0.56750  1.0 1.0
   29    33    39    56  -0.07550 -1.0 2.0
   29    33    39    56   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    49    50    51   0.15000  1.0 3.0
   33    49    50    53   0.56750  1.0 1.0
   33    49    50    53  -0.07550 -1.0 2.0
   33    49    50    53   0.20000  1.0 3.0
   33    49    50    67   1.53400  1.0 1.0
   33    49    50    67  -0.09950 -1.0 2.0
   33    49    50    67   0.05700  1.0 3.0
   33    49   -52    56  -0.25900  1.0 1.0
   33    49   -52    56  -0.47000 -1.0 2.0
   33    49   -52    56   0.11750  1.0 3.0
   37    33    49    46   0.34400  1.0 1.0
   37    33    49    46   0.09450 -1.0 2.0
   37    33    49    46   0.11100  1.0 3.0
   37    33    49    50   0.34400  1.0 1.0
   37    33    49    50   0.09450 -1.0 2.0
   37    33    49    50   0.11100  1.0 3.0
   37    33    49    52   0.61850  1.0 1.0
   37    33    49    52  -0.22750 -1.0 2.0
   37    33    49    52   0.15300  1.0 3.0
   37    33    39    56  -0.98800  1.0 1.0
   37    33    39    56   0.48800 -1.0 2.0
   37    33    39    56   0.76800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   0.00000  1.0 1.0
   37    42   -44    46   0.09850  1.0 1.0
   37    42   -44    46   0.15250 -1.0 2.0
   37    42   -44    46  -0.50650  1.0 3.0
   37    42    44    67   0.90200  1.0 1.0
   37    42    44    67   0.57900 -1.0 2.0
   37    42    44    67  -0.62100  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    46    47   0.15000  1.0 3.0
   42    44    46    48   0.15000  1.0 3.0
   42    44    46    49   0.34400  1.0 1.0
   42    44    46    49   0.09450 -1.0 2.0
   42    44    46    49   0.11100  1.0 3.0
   42    44    67    50  -0.60800  1.0 1.0
   42    44    67    50   1.10050 -1.0 2.0
   42    44    67    50   0.47000  1.0 3.0
   42    44    67    64  -0.60800  1.0 1.0
   42    44    67    64   1.10050 -1.0 2.0
   42    44    67    64   0.47000  1.0 3.0
   43    42    44    45   0.33100  1.0 3.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    67   0.00000  1.0 1.0
   44    46   -49    33   0.56750  1.0 1.0
   44    46   -49    33  -0.07550 -1.0 2.0
   44    46   -49    33   0.20000  1.0 3.0
   44    46   -49    50   0.56750  1.0 1.0
   44    46   -49    50  -0.07550 -1.0 2.0
   44    46   -49    50   0.20000  1.0 3.0
   44    46    49    52   0.62750  1.0 1.0
   44    46    49    52  -0.30950 -1.0 2.0
   44    46    49    52   0.27300  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    67    50   0.28000  1.0 3.0
   45    44    67    64   0.28000  1.0 3.0
   46    44   -67    50   0.23450  1.0 1.0
   46    44   -67    50   0.02050 -1.0 2.0
   46    44   -67    50   0.25250  1.0 3.0
   46    44    67    64   0.23450  1.0 1.0
   46    44    67    64   0.02050 -1.0 2.0
   46    44    67    64   0.25250  1.0 3.0
   46    49    50    51   0.15000  1.0 3.0
   46    49    50    53   0.56750  1.0 1.0
   46    49    50    53  -0.07550 -1.0 2.0
   46    49    50    53   0.20000  1.0 3.0
   46    49   -50    67   1.53400  1.0 1.0
   46    49   -50    67  -0.09950 -1.0 2.0
   46    49   -50    67   0.05700  1.0 3.0
   46    49    52    56  -0.25900  1.0 1.0
   46    49    52    56  -0.47000 -1.0 2.0
   46    49    52    56   0.11750  1.0 3.0
   47    46    49    33   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    52   0.23400  1.0 3.0
   48    46    49    33   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    52   0.23400  1.0 3.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    42   0.09850  1.0 1.0
   49    33   -37    42   0.15250 -1.0 2.0
   49    33   -37    42  -0.50650  1.0 3.0
   49    33   -39    56  -0.95700  1.0 1.0
   49    33   -39    56  -0.18200 -1.0 2.0
   49    33   -39    56   0.29450  1.0 3.0
   49    33    39    40   0.15000  1.0 3.0
   49    33    39    41   0.15000  1.0 3.0
   49    50    53    54   0.15000  1.0 3.0
   49    50    53    55   0.15000  1.0 3.0
   49    50    53    58   0.56750  1.0 1.0
   49    50    53    58  -0.07550 -1.0 2.0
   49    50    53    58   0.20000  1.0 3.0
   49    50   -67    44   0.23450  1.0 1.0
   49    50   -67    44   0.02050 -1.0 2.0
   49    50   -67    44   0.25250  1.0 3.0
   49    50    67    64   0.23450  1.0 1.0
   49    50    67    64   0.02050 -1.0 2.0
   49    50    67    64   0.25250  1.0 3.0
   49    52    56    57   3.00000 -1.0 2.0
   49    52   -56    39   1.63150  1.0 1.0
   49    52   -56    39   2.92000 -1.0 2.0
   50    49    52    56  -0.25900  1.0 1.0
   50    49    52    56  -0.47000 -1.0 2.0
   50    49    52    56   0.11750  1.0 3.0
   50    53    58    59   0.15000  1.0 3.0
   50    53    58    60   0.15000  1.0 3.0
   50    53    58    61   0.56750  1.0 1.0
   50    53    58    61  -0.07550 -1.0 2.0
   50    53    58    61   0.20000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    58   0.15000  1.0 3.0
   51    50    67    44   0.28000  1.0 3.0
   51    50    67    64   0.28000  1.0 3.0
   53    50    67    44   0.23450  1.0 1.0
   53    50    67    44   0.02050 -1.0 2.0
   53    50    67    44   0.25250  1.0 3.0
   53    50    67    64   0.23450  1.0 1.0
   53    50    67    64   0.02050 -1.0 2.0
   53    50    67    64   0.25250  1.0 3.0
   53    58    61    62   0.15000  1.0 3.0
   53    58    61    63   0.15000  1.0 3.0
   53    58   -61    64   0.56750  1.0 1.0
   53    58   -61    64  -0.07550 -1.0 2.0
   53    58   -61    64   0.20000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    61   0.15000  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    67   1.53400  1.0 1.0
   58    61    64    67  -0.09950 -1.0 2.0
   58    61    64    67   0.05700  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    64    67    44   0.23450  1.0 1.0
   61    64    67    44   0.02050 -1.0 2.0
   61    64    67    44   0.25250  1.0 3.0
   61    64   -67    50   0.23450  1.0 1.0
   61    64   -67    50   0.02050 -1.0 2.0
   61    64   -67    50   0.25250  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   65    64    67    44   0.28000  1.0 3.0
   65    64    67    50   0.28000  1.0 3.0
   66    64    67    44   0.28000  1.0 3.0
   66    64    67    50   0.28000  1.0 3.0
   67    44    46    47   0.15000  1.0 3.0
   67    44    46    48   0.15000  1.0 3.0
   67    44   -46    49   1.53400  1.0 1.0
   67    44   -46    49  -0.09950 -1.0 2.0
   67    44   -46    49   0.05700  1.0 3.0
   67    50    53    54   0.15000  1.0 3.0
   67    50    53    55   0.15000  1.0 3.0
   67    50   -53    58   1.53400  1.0 1.0
   67    50   -53    58  -0.09950 -1.0 2.0
   67    50   -53    58   0.05700  1.0 3.0
   52    49    50    51   0.23400  1.0 3.0
   52    49    50    53   0.62750  1.0 1.0
   52    49    50    53  -0.30950 -1.0 2.0
   52    49    50    53   0.27300  1.0 3.0
   52    49    50    67   1.74050  1.0 1.0
   52    56   -39    33   0.36750  1.0 3.0
   52    56    39    40   0.00000  1.0 1.0
   52    56    39    41   0.00000  1.0 1.0
   57    56    39    33   0.30150 -1.0 2.0
   57    56    39    40   0.00000  1.0 1.0
   57    56    39    41   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    49    46   0.56750  1.0 1.0
   39    33    49    46  -0.07550 -1.0 2.0
   39    33    49    46   0.20000  1.0 3.0
   39    33    49    50   0.56750  1.0 1.0
   39    33    49    50  -0.07550 -1.0 2.0
   39    33    49    50   0.20000  1.0 3.0
   39    33   -49    52   0.62750  1.0 1.0
   39    33   -49    52  -0.30950 -1.0 2.0
   39    33   -49    52   0.27300  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    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   52    39    56    57  10.50000 -1.0 2.0
END
