* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    105    163     313
    1     0 S   NP   _N1_     1    28.94591    96.47408   -25.32927
    2     1 S   H    _HN1     2     1.02945    70.62308     1.67678
    3     1 S   H    _H1_     3     1.02826    36.51120  -175.49785
    4     1 S   H    _H2_     4     1.02800   121.58374   -98.47308
    5     1 S   CT   _CA1     5     1.50138   122.88330   103.97107
    6     5 S   HC   _HA1     6     1.09572   105.14109    98.13001
    7     5 S   CO3  _C1_     7     1.53753   112.48324   -22.07274
    8     7 S   O2Z  _O11     8     1.26380   114.99661   -41.92789
    9     7 S   O2Z  _O12     9     1.26230   114.94070   137.02699
   10     5 S   CT   _CB1    10     1.53045   107.39856  -143.88867
   11    10 S   HC   HB11    11     1.09848   109.30838   -49.00513
   12    10 S   HC   HB12    12     1.09810   110.48122    67.57281
   13    10 S   CT   _CG1    13     1.53052   112.68205  -169.91355
   14    13 S   HC   HG11    14     1.09557   110.81349   -68.57210
   15    13 S   HC   HG12    15     1.09663   109.64227    50.69673
   16    13 S   C    _CD1    16     1.51816   111.74465   171.24375
   17    16 S   O    _OE1    17     1.22777   123.06372    16.91111
   18    16 S   N    _N2_    18     1.38642   112.00607  -163.07694
   19    18 S   H    _HN2    19     1.01574   119.01822     0.64041
   20    18 S   CT1  _CA2    20     1.46230   123.31453   175.72630
   21    20 S   HC   _HA2    21     1.09738   109.24791     9.43071
   22    20 S   C    _C2_    22     1.53735   108.87260  -106.08812
   23    22 S   O    _O2_    23     1.23091   122.21489  -148.58504
   24    20 S   CT   _CB2    32     1.53313   111.75089   131.43877
   25    24 S   HC   HB21    33     1.09596   110.15652    56.88877
   26    24 S   HC   HB22    34     1.09471   110.01680   175.90050
   27    22 S   N    _N3_    24     1.38303   113.93067    38.87125
   28    27 S   H    _HN3    25     1.01525   119.64332    -2.95559
   29    24 S   S    _SG2    35     1.82664   111.66755   -63.86562
   30    27 S   CT   _CA3    26     1.45285   123.33976   177.34031
   31    30 S   HC   HA31    27     1.09545   107.49076   -65.52957
   32    30 S   HC   HA32    28     1.09554   108.03338    50.94891
   33    29 S   CT   _C11    36     1.84625    99.40158  -178.71138
   34    33 S   HC   _H3_    37     1.09669   107.38016   -31.21265
   35    30 S   CO3  _C3_    29     1.52995   114.00520   172.96592
   36    35 S   O2Z  _O31    30     1.26393   116.07573    -0.47765
   37    35 S   O2Z  _O32    31     1.26422   114.42301   179.58646
   38    33 S   CM   _C5_    38     1.50946   107.72303    85.31001
   39    38 S   HC   _H19    39     1.08723   117.73566   -67.42778
   40    38 S   CM   _C4_    40     1.34164   123.89114   114.32293
   41    40 S   HC   _H18    41     1.08684   119.08787   177.62983
   42    40 S   CT   _C10    42     1.50621   123.57655    -0.60845
   43    42 S   HC   _H22    43     1.09917   105.88398   101.89310
   44    42 S   CT   _C13    44     1.54568   112.52209   -16.89341
   45    44 S   HC   _H25    45     1.09655   108.86179   166.71182
   46    42 S   OS   _O16    53     1.43613   108.10291  -139.02232
   47    33 S   CT   _C12    46     1.54986   113.63666  -150.04750
   48    47 S   HC   _H24    47     1.10278   106.48483   163.44733
   49    44 S   OH   _O15    51     1.42889   109.72289   -77.28258
   50    49 S   HO   _H26    52     0.97439   106.61273   178.77220
   51    46 S   CM   _C7_    54     1.38323   112.89735  -145.44821
   52    47 S   CO3  _C9_    48     1.54174   112.40884    51.05078
   53    52 S   O2Z  _O34    49     1.26275   116.04358  -125.14941
   54    52 S   O2Z  _O14    50     1.26514   114.75465    55.60652
   55    51 S   CM   _C6_    55     1.33736   120.57732  -116.18370
   56    55 S   HC   _H20    56     1.08503   120.49072     2.89320
   57    55 S   HC   _H21    57     1.08443   121.97711  -177.14179
   58    51 S   CO3  _C8_    58     1.54608   118.35048    69.16074
   59    58 S   O2Z  _O33    59     1.26571   115.08819    25.20079
   60    58 S   O2Z  _O13    60     1.26495   115.89604  -154.48533
  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
  14   7   2   1   1  10   4   9   4  12   6  10   6   9   6   4
   2   1   6   2   1   1   5   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    47    48    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    47    48    52    53    54    49  
   38    39    40    44    47    48    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    48    52    46  
   40    41    42    47  
   41    42    43    44    45    47    49    46    51  
   42    43    44    46  
   43    44    45    47    48    52    49    50    46    51    55    58  
   44    45    47    49    46    51  
   45    47    48    52    53    54    49    50    46    51  
   47    48    52    49    50    46  
   51    55    56    57    58    59    60    47    49  
   48    52    53    54    49    50  
   52    53    54    49  
   50    52  
    0  
   55    56    57    58    59    60  
   53    54  
   54  
    0  
   56    57    58    59    60  
   57    58  
   58  
   59    60  
   60  
    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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    47   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    52   317.000  1.522
   52    53   656.000  1.250
   52    54   656.000  1.250
   49    50   553.000  0.945
   46    51   440.000  1.360
   51    55   549.000  1.340
   51    58   230.000  1.545
   55    56   340.000  1.080
   55    57   340.000  1.080
   58    59   656.000  1.250
   58    60   656.000  1.250
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    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    44    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    52    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  124.00000
   40    38    39    35.00000  120.00000
   40    42    43    35.00000  109.50000
   40    42    44    70.00000  112.02700
   40    42    46    85.00000  110.90400
   42    40    41    35.00000  117.00000
   42    44    45    37.50000  110.70000
   42    44    47    58.35000  112.70000
   42    44    49    50.00000  109.50000
   42    46    51    90.00000  111.18400
   44    42    43    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    52    70.00000  109.69300
   44    49    50    55.00000  108.50000
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    44    45    37.50000  110.70000
   47    52    53    70.00000  117.00000
   47    52    54    70.00000  117.00000
   52    47    48    35.00000  109.50000
   54    52    53    80.00000  126.00000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   46    42    43    35.00000  109.50000
   46    42    44    50.00000  109.50000
   46    51    55    80.00000  120.01400
   46    51    58    80.00000  119.00000
   51    55    56    35.00000  120.00000
   51    55    57    35.00000  120.00000
   51    58    59    85.00000  113.83300
   51    58    60    85.00000  113.83300
   57    55    56    35.00000  117.00000
   58    51    55    55.00000  124.75400
   60    58    59    80.00000  126.00000
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    44   0.44750  1.0 1.0
   29    33    47    44  -0.17800 -1.0 2.0
   29    33    47    44   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    52   0.56750  1.0 1.0
   29    33    47    52  -0.07550 -1.0 2.0
   29    33    47    52   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    47    52    53   0.41150 -1.0 2.0
   33    47    52    54   0.41150 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    44   0.15000  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    52  -0.11250  1.0 3.0
   38    33    47    44   0.34400  1.0 1.0
   38    33    47    44   0.09450 -1.0 2.0
   38    33    47    44   0.11100  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    52  -0.98800  1.0 1.0
   38    33    47    52   0.48800 -1.0 2.0
   38    33    47    52   0.76800  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    46   0.39000  1.0 1.0
   38    40    42    46  -0.05800 -1.0 2.0
   38    40    42    46  -0.55150  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   0.15000  1.0 3.0
   40    42    44    47   0.34400  1.0 1.0
   40    42    44    47   0.09450 -1.0 2.0
   40    42    44    47   0.11100  1.0 3.0
   40    42    44    49   1.05650  1.0 1.0
   40    42    44    49   0.15600 -1.0 2.0
   40    42    44    49   0.53150  1.0 3.0
   40    42    46    51  -0.48150  1.0 1.0
   40    42    46    51   0.09250 -1.0 2.0
   40    42    46    51  -0.12850  1.0 3.0
   41    40    42    43   0.33100  1.0 3.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   42    44   -47    33   0.56750  1.0 1.0
   42    44   -47    33  -0.07550 -1.0 2.0
   42    44   -47    33   0.20000  1.0 3.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    52  -1.63150  1.0 1.0
   42    44    47    52  -0.43550 -1.0 2.0
   42    44    47    52   0.24500  1.0 3.0
   42    44    49    50  -0.11600  1.0 1.0
   42    44    49    50  -0.09450 -1.0 2.0
   42    44    49    50   0.21250  1.0 3.0
   42    46    51    55  -2.26850  1.0 1.0
   42    46    51    55   3.39050 -1.0 2.0
   42    46    51    58   0.15100 -1.0 2.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    44    49   0.23400  1.0 3.0
   43    42    46    51   0.08050  1.0 3.0
   44    42    46    51  -0.46850  1.0 1.0
   44    42    46    51   0.09300 -1.0 2.0
   44    42    46    51  -0.12850  1.0 3.0
   44    47    52    53   0.41150 -1.0 2.0
   44    47    52    54   0.41150 -1.0 2.0
   45    44    47    33   0.15000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    52  -0.11250  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   47    44    49    50  -0.11600  1.0 1.0
   47    44    49    50  -0.09450 -1.0 2.0
   47    44    49    50   0.21250  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   49    44    47    33   0.86500  1.0 1.0
   49    44    47    33  -0.17500 -1.0 2.0
   49    44    47    33   0.20800  1.0 3.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    52  -5.33000  1.0 1.0
   49    44    47    52  -0.54250 -1.0 2.0
   49    44    47    52  -0.07300  1.0 3.0
   46    42    44    45   0.23400  1.0 3.0
   46    42    44    47   0.62750  1.0 1.0
   46    42    44    47  -0.30950 -1.0 2.0
   46    42    44    47   0.27300  1.0 3.0
   46    42    44    49   3.69350  1.0 1.0
   46    42    44    49  -1.82950 -1.0 2.0
   46    51    55    56   7.00000 -1.0 2.0
   46    51    55    57   7.00000 -1.0 2.0
   46    51    58    59  -0.11900  1.0 1.0
   46    51    58    59   0.76850 -1.0 2.0
   46    51    58    59   0.14100  1.0 3.0
   46    51    58    60  -0.11900  1.0 1.0
   46    51    58    60   0.76850 -1.0 2.0
   46    51    58    60   0.14100  1.0 3.0
   55    51    58    59  -0.04000 -1.0 2.0
   55    51    58    59  -0.29050  1.0 3.0
   55    51    58    60  -0.04000 -1.0 2.0
   55    51    58    60  -0.29050  1.0 3.0
   58    51    55    56   7.00000 -1.0 2.0
   58    51    55    57   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   53    47    52    54  10.50000 -1.0 2.0
   46    58    51    55  15.00000 -1.0 2.0
   56    57    55    51  15.00000 -1.0 2.0
   59    51    58    60  10.50000 -1.0 2.0
END
