* LIGAND DATABASE FILE (OPLS2005)
*
001      62    65    115    191     339
    1     0 S   NP   _N1_     1    28.83300    95.88893   -24.79314
    2     1 S   H    _HN1     2     1.02947    74.68975     3.02252
    3     1 S   H    _H1_     3     1.02827    32.60681   176.60373
    4     1 S   H    _H2_     4     1.02794   115.71714  -100.31839
    5     1 S   CT   _CA1     5     1.50127   126.95850   107.31258
    6     5 S   HC   _HA1     6     1.09573   105.16513    91.89404
    7     5 S   CO3  _C1_     7     1.53768   112.42409   -28.31636
    8     7 S   O2Z  _O11     8     1.26376   115.00578   -43.37375
    9     7 S   O2Z  _O12     9     1.26232   114.94060   135.60560
   10     5 S   CT   _CB1    10     1.53056   107.39979  -150.15376
   11    10 S   HC   HB11    11     1.09841   109.33466   -49.41140
   12    10 S   HC   HB12    12     1.09810   110.47982    67.18014
   13    10 S   CT   _CG1    13     1.53021   112.63828  -170.34080
   14    13 S   HC   HG11    14     1.09569   110.72945   -67.11889
   15    13 S   HC   HG12    15     1.09669   109.70464    52.13281
   16    13 S   C    _CD1    16     1.51816   111.97368   172.61276
   17    16 S   O    _OE1    17     1.22761   123.17065    12.14217
   18    16 S   N    _N2_    18     1.38636   111.85088  -167.85835
   19    18 S   H    _HN2    19     1.01581   119.03693     0.88293
   20    18 S   CT1  _CA2    20     1.46234   123.39399   176.75273
   21    20 S   HC   _HA2    21     1.09738   109.23242     8.27771
   22    20 S   C    _C2_    22     1.53701   109.01834  -107.27286
   23    22 S   O    _O2_    23     1.23092   122.20396  -149.80395
   24    20 S   CT   _CB2    32     1.53347   111.61464   130.21912
   25    24 S   HC   HB21    33     1.09508   109.82249    57.04947
   26    24 S   HC   HB22    34     1.09516   110.13510   176.02359
   27    22 S   N    _N3_    24     1.38304   113.94475    37.73430
   28    27 S   H    _HN3    25     1.01535   119.62065    -3.27560
   29    24 S   S    _SG2    35     1.82671   111.53098   -64.09390
   30    27 S   CT   _CA3    26     1.45281   123.28657   177.19272
   31    30 S   HC   HA31    27     1.09547   107.51574   -64.79819
   32    30 S   HC   HA32    28     1.09556   107.99507    51.66085
   33    29 S   CT   _C19    36     1.85072    99.58404  -173.71466
   34    33 S   HC   _H3_    37     1.10020   104.27574    58.37519
   35    30 S   CO3  _C3_    29     1.52976   114.04202   173.66720
   36    35 S   O2Z  _O31    30     1.26385   116.08032    -0.16669
   37    35 S   O2Z  _O32    31     1.26424   114.41809   179.88986
   38    33 S   CM   _C16    38     1.51594   109.10853   169.51333
   39    38 S   HC   _H26    39     1.08794   118.08987   -24.69197
   40    33 S   CT   _C18    60     1.56846   115.95823   -59.51514
   41    40 S   OM   _O17    61     1.32702   111.06741   -51.49278
   42    40 S   HC   _H27    62     1.10108   104.64225    78.95054
   43    38 S   CM   _C17    40     1.34565   122.41328   160.34912
   44    43 S   CR3  _C12    41     1.48414   118.77808    -1.58140
   45    43 S   CM   _C15    53     1.45528   121.46543   174.29930
   46    45 S   HC   _H25    54     1.08542   119.09541     8.16878
   47    44 S   CR3  _C10    42     1.41519   117.59673   169.13097
   48    47 S   CA   _C9_    43     1.41336   119.29653  -177.24651
   49    48 S   CA   _C5_    44     1.40377   119.24643   179.31643
   50    49 S   HA   _H20    45     1.08806   120.46284  -179.74512
   51    48 S   CA   _C6_    55     1.40341   119.32593    -1.07956
   52    51 S   HA   _H21    56     1.08801   120.47656  -179.72732
   53    49 S   CA   _C4_    46     1.39541   120.77564     0.60328
   54    53 S   HA   _H19    47     1.08646   119.85140   179.79923
   55    51 S   CA   _C8_    57     1.39659   120.87386    -1.02106
   56    55 S   HA   _H23    58     1.08732   119.24347  -177.98569
   57    53 S   CA   _C7_    48     1.39320   120.24121     0.25793
   58    57 S   HA   _H22    49     1.08716   119.10384   179.33854
   59    44 S   CA   _C13    59     1.40832   121.44000   -11.22223
   60    47 S   CA   _C11    50     1.41661   121.20147     3.31405
   61    60 S   CM   _C14    51     1.47481   119.77123     1.56623
   62    61 S   HC   _H24    52     1.08454   118.70943   177.18200
  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   9   5   4   3
  11   7   2   1   1  11   4   9   4   3  10  12   7   3  13  12
   9   4   6   3   5   3   2   1   4   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    43    59    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45    55    59    40    41    42  
   38    39    43    59    40    41    42  
   36    37  
   37  
    0  
   39    43    44    47    61    45    46    59    40    41    42  
   43    44    45    40  
   41    42    43    44    47    51    55    56    59  
   42    44    55    59  
   44    55    59  
   44    47    48    60    61    62    45    46    55    59  
   47    48    49    57    60    61    45    46    51    55    56    59  
   46    59    47    57    60    61    62  
   60    61    62  
   48    49    50    53    57    58    60    61    62    51    52    55    59  
   49    50    53    54    57    60    61    51    52    55    56    59  
   50    53    54    57    58    60    51    52    55  
   53    54    57    51  
   52    55    56    59    53    60  
   55    56    59  
   54    57    58    60    61  
   57    58    60  
   56    59  
   59  
   58    60    61    62  
   60    61  
   60  
   61    62  
   62  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   320.000  1.460
   43    45   380.000  1.444
   44    47   490.000  1.398
   44    59   490.000  1.398
   47    48   490.000  1.398
   47    60   490.000  1.398
   48    49   469.000  1.400
   48    51   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    61   320.000  1.460
   61    62   340.000  1.080
   61    45   549.000  1.340
   45    46   340.000  1.080
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    40   317.000  1.510
   40    41   570.000  1.307
   40    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    59    70.00000  112.17500
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    60.00000  123.20500
   38    43    45    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    44    47    60.00000  120.93500
   43    44    59    60.00000  120.93500
   43    45    61    70.00000  123.01800
   43    45    46    35.00000  120.00000
   44    47    48    60.00000  130.80000
   44    47    60    60.00000  130.80000
   44    59    55    70.00000  112.88000
   44    59    40    80.00000  105.07000
   47    48    49    70.00000  112.88000
   47    48    51    70.00000  112.88000
   47    60    57    70.00000  112.88000
   47    60    61    60.00000  120.93500
   48    49    50    35.00000  120.00000
   48    49    53    63.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    57    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    60    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    60    61    60.00000  120.93500
   60    47    48    60.00000  130.80000
   60    57    58    35.00000  120.00000
   60    61    62    40.00000  117.26300
   60    61    45    60.00000  123.20500
   61    45    46    35.00000  120.00000
   45    43    44    60.00000  123.20500
   45    61    62    35.00000  120.00000
   51    48    49    63.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    59    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    59    40    70.00000  120.00000
   59    44    47    60.00000  130.80000
   59    55    56    35.00000  120.00000
   59    40    41    85.00000  111.85700
   59    40    42    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   42    40    41    45.00000  125.66300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    59   0.56750  1.0 1.0
   29    33    40    59  -0.07550 -1.0 2.0
   29    33    40    59   0.20000  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    45   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    59   0.43200  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33    40    59   0.21200  1.0 1.0
   38    33    40    59   0.16900 -1.0 2.0
   38    33    40    59  -1.15100  1.0 3.0
   38    33    40    41   0.61850  1.0 1.0
   38    33    40    41  -0.22750 -1.0 2.0
   38    33    40    41   0.15300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    43    44    47   0.15800  1.0 1.0
   38    43    44    47   1.85350 -1.0 2.0
   38    43    44    47  -0.48700  1.0 3.0
   38    43   -44    59   0.15800  1.0 1.0
   38    43   -44    59   1.85350 -1.0 2.0
   38    43   -44    59  -0.48700  1.0 3.0
   38    43    45    61   0.28850  1.0 1.0
   38    43    45    61   2.61350 -1.0 2.0
   38    43    45    61   0.78400  1.0 3.0
   38    43    45    46  -0.18600  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    45   7.00000 -1.0 2.0
   43    44    47    48   3.62500 -1.0 2.0
   43    44    47    60   3.62500 -1.0 2.0
   43    44    59    55   3.62500 -1.0 2.0
   43    44    59    40   3.62500 -1.0 2.0
   44    43    45    61  -0.18600  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    47    48    49   3.62500 -1.0 2.0
   44    47    48    51   3.62500 -1.0 2.0
   44    47    60    57   3.62500 -1.0 2.0
   44    47   -60    61   3.62500 -1.0 2.0
   44    59   -40    33   0.04150 -1.0 2.0
   44    59    40    41   0.64500  1.0 1.0
   44    59    40    41   0.14800 -1.0 2.0
   44    59    40    41   0.20650  1.0 3.0
   44    59    40    42   0.00000  1.0 1.0
   47    44    59    55   3.62500 -1.0 2.0
   47    44    59    40   3.62500 -1.0 2.0
   47    48    49    50   3.62500 -1.0 2.0
   47    48    49    53   3.62500 -1.0 2.0
   47    48    51    52   3.62500 -1.0 2.0
   47    48   -51    55   3.62500 -1.0 2.0
   47    60    61    62   0.56550  1.0 3.0
   47    60    61    45   0.15800  1.0 1.0
   47    60    61    45   1.85350 -1.0 2.0
   47    60    61    45  -0.48700  1.0 3.0
   48    47    60    57   3.62500 -1.0 2.0
   48    47    60    61   3.62500 -1.0 2.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49   -53    57   3.62500 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    55    59   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    55   3.62500 -1.0 2.0
   49    53    57    58   3.62500 -1.0 2.0
   49    53    57    60   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    57   3.62500 -1.0 2.0
   53    57   -60    47   3.62500 -1.0 2.0
   53    57    60    61   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    60   3.62500 -1.0 2.0
   57    60    61    62   0.56550  1.0 3.0
   57    60    61    45   0.15800  1.0 1.0
   57    60    61    45   1.85350 -1.0 2.0
   57    60    61    45  -0.48700  1.0 3.0
   58    57    60    47   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   60    47   -48    49   3.62500 -1.0 2.0
   60    47    48    51   3.62500 -1.0 2.0
   60    61   -45    43   7.00000 -1.0 2.0
   60    61    45    46   7.00000 -1.0 2.0
   62    61    45    43   7.00000 -1.0 2.0
   62    61    45    46   7.00000 -1.0 2.0
   45    43   -44    47   0.15800  1.0 1.0
   45    43   -44    47   1.85350 -1.0 2.0
   45    43   -44    47  -0.48700  1.0 3.0
   45    43    44    59   0.15800  1.0 1.0
   45    43    44    59   1.85350 -1.0 2.0
   45    43    44    59  -0.48700  1.0 3.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    53   3.62500 -1.0 2.0
   51    55   -59    44   3.62500 -1.0 2.0
   51    55    59    40   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    59   3.62500 -1.0 2.0
   55    59    40    33   0.04150 -1.0 2.0
   55    59    40    41   0.64500  1.0 1.0
   55    59    40    41   0.14800 -1.0 2.0
   55    59    40    41   0.20650  1.0 3.0
   55    59    40    42   0.00000  1.0 1.0
   56    55    59    44   3.62500 -1.0 2.0
   56    55    59    40   3.62500 -1.0 2.0
   59    44   -47    48   3.62500 -1.0 2.0
   59    44    47    60   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33   -38    43   0.09850  1.0 1.0
   40    33   -38    43   0.15250 -1.0 2.0
   40    33   -38    43  -0.50650  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43   1.10000 -1.0 2.0
   44    45    43    38   1.10000 -1.0 2.0
   47    59    44    43   4.00000 -1.0 2.0
   48    60    47    44   4.00000 -1.0 2.0
   49    51    48    47   4.00000 -1.0 2.0
   53    50    49    48   1.10000 -1.0 2.0
   57    54    53    49   1.10000 -1.0 2.0
   60    58    57    53   1.10000 -1.0 2.0
   57    61    60    47   4.00000 -1.0 2.0
   60    62    61    45   1.10000 -1.0 2.0
   43    46    45    61   1.10000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   59    56    55    51   1.10000 -1.0 2.0
   55    40    59    44   4.00000 -1.0 2.0
END
