* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    105    161     311
    1     0 S   NP   _N1_     1    28.89208    96.20697   -23.03108
    2     1 S   H    _HN1     2     1.02938    75.75280   -14.12111
    3     1 S   H    _H1_     3     1.02820    33.27366   146.71717
    4     1 S   H    _H2_     4     1.02799   108.70258  -118.98366
    5     1 S   CT   _CA1     5     1.50167   133.58211    90.71136
    6     5 S   HC   _HA1     6     1.09578   105.15109    88.64769
    7     5 S   CO3  _C1_     7     1.53817   112.04397   -31.45603
    8     7 S   O2Z  _O11     8     1.26384   115.04255   -50.87616
    9     7 S   O2Z  _O12     9     1.26210   114.94003   127.61200
   10     5 S   CT   _CB1    10     1.53032   107.29449  -153.57666
   11    10 S   HC   HB11    11     1.09849   109.48008   -48.85325
   12    10 S   HC   HB12    12     1.09800   110.51972    67.77363
   13    10 S   CT   _CG1    13     1.52976   112.50849  -169.65214
   14    13 S   HC   HG11    14     1.09541   110.72906   -65.76790
   15    13 S   HC   HG12    15     1.09649   109.66730    53.46596
   16    13 S   C    _CD1    16     1.51813   111.72406   174.19154
   17    16 S   O    _OE1    17     1.22802   123.08349    16.56682
   18    16 S   N    _N2_    18     1.38502   112.09240  -163.76331
   19    18 S   H    _HN2    19     1.02008   118.86392    -0.14265
   20    18 S   CT1  _CA2    20     1.46233   123.60611   179.34508
   21    20 S   HC   _HA2    21     1.09741   109.04248    13.33136
   22    20 S   C    _C2_    22     1.53672   109.64081  -102.65224
   23    22 S   O    _O2_    23     1.23140   122.02357  -149.06698
   24    20 S   CT   _CB2    32     1.53469   111.29316   134.89170
   25    24 S   HC   HB21    33     1.09345   109.36692    61.11689
   26    24 S   HC   HB22    34     1.09523   110.55590   179.35989
   27    22 S   N    _N3_    24     1.38276   114.17419    38.66771
   28    27 S   H    _HN3    25     1.01519   119.70597    -3.99331
   29    24 S   S    _SG2    35     1.82665   111.22370   -61.04560
   30    27 S   CT   _CA3    26     1.45296   123.16449   176.89587
   31    30 S   HC   HA31    27     1.09555   107.58923   -61.80247
   32    30 S   HC   HA32    28     1.09558   107.86119    54.58179
   33    29 S   CT   _C11    36     1.84100   100.32794   163.31609
   34    33 S   HC   _H4_    37     1.09678   107.27078    49.73626
   35    30 S   CO3  _C3_    29     1.52966   114.19451   176.49044
   36    35 S   O2Z  _O31    30     1.26368   116.13627    -1.44469
   37    35 S   O2Z  _O32    31     1.26445   114.39957   178.59319
   38    33 S   CM   _C10    38     1.50869   106.91739   164.25952
   39    38 S   HC   _H10    39     1.08846   116.05287   -68.19934
   40    38 S   CM   _C9_    40     1.34344   124.12952   113.38816
   41    40 S   CT   _C8_    41     1.50791   122.89673    -1.15826
   42    41 S   HC   _H8_    42     1.09736   107.81057   107.60695
   43    41 S   HC   _H9_    43     1.09716   109.05285  -135.86705
   44    40 S   CO3  _C13    58     1.54651   119.31943   178.78534
   45    44 S   O2Z  _O38    59     1.26452   116.19403    28.43617
   46    44 S   O2Z  _O37    60     1.26566   114.93092  -151.87435
   47    41 S   CT   _C7_    44     1.54022   114.24111   -13.70691
   48    47 S   HC   _H3_    45     1.09951   106.46808   159.83408
   49    33 S   CT   _C12    46     1.54578   113.40454   -71.19617
   50    49 S   HC   _H5_    47     1.09171   110.79603    41.57456
   51    47 S   OS   _O35    50     1.43645   107.96814   -80.98388
   52    49 S   OH   _O36    48     1.43521   108.95121   157.33531
   53    52 S   HO   _H11    49     0.97229   107.48389   -61.61608
   54    51 S   CM   _C5_    51     1.37900   114.04460  -129.09954
   55    54 S   CM   _C4_    52     1.33661   121.28308   128.41967
   56    55 S   HC   _H6_    53     1.08464   120.69298    -2.45064
   57    55 S   HC   _H7_    54     1.08506   121.67591   177.16144
   58    54 S   CO3  _C6_    55     1.53411   119.78972   -56.80317
   59    58 S   O2Z  _O34    56     1.26448   115.45606   122.73365
   60    58 S   O2Z  _O33    57     1.26530   115.07320   -57.16606
  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
  13   7   2   1   1  12   4  10  12   6   5   3   1   1   9   5
   5   3   8   1   1   6   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    49    50    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    47    48    49    50    52    53    51    44  
   38    39    40    47    49    50    52  
   36    37  
   37  
    0  
   39    40    41    42    43    47    49    50    52    44    45    46  
   40    41    49    44  
   41    42    43    47    48    49    51    44    45    46  
   42    43    47    48    49    50    52    51    54    44    45    46  
   43    47    48    49    51    44  
   47    48    49    51    44  
   45    46    47  
   46  
    0  
   48    49    50    52    53    51    54    55    58  
   49    50    52    51    54  
   50    52    53    51    54  
   52    53    51  
   54    55    56    57    58    59    60    52  
   53  
    0  
   55    56    57    58    59    60  
   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  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   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    49   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   317.000  1.510
   40    44   230.000  1.545
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    52   320.000  1.410
   52    53   553.000  0.945
   51    54   440.000  1.360
   54    55   549.000  1.340
   54    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
   44    45   656.000  1.250
   44    46   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    49    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    49    47    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  124.00000
   38    40    44    55.00000  124.75400
   40    38    39    35.00000  120.00000
   40    41    42    35.00000  109.50000
   40    41    43    35.00000  109.50000
   40    41    47    70.00000  112.02700
   40    44    45    85.00000  113.83300
   40    44    46    85.00000  113.83300
   41    47    48    37.50000  110.70000
   41    47    49    58.35000  112.70000
   41    47    51    50.00000  109.50000
   43    41    42    33.00000  107.80000
   47    41    42    37.50000  110.70000
   47    41    43    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    52    50.00000  109.50000
   47    51    54    90.00000  111.18400
   49    33    34    37.50000  110.70000
   49    33    38    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    52    53    55.00000  108.50000
   52    49    50    35.00000  109.50000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   51    54    55    80.00000  120.01400
   51    54    58    80.00000  119.00000
   54    55    56    35.00000  120.00000
   54    55    57    35.00000  120.00000
   54    58    59    85.00000  113.83300
   54    58    60    85.00000  113.83300
   57    55    56    35.00000  117.00000
   58    54    55    55.00000  124.75400
   60    58    59    80.00000  126.00000
   44    40    41    65.00000  117.04000
   46    44    45    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    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
   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    49    47   0.44750  1.0 1.0
   29    33    49    47  -0.17800 -1.0 2.0
   29    33    49    47   0.20200  1.0 3.0
   29    33    49    50   0.15000  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
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    49    52    53  -0.11600  1.0 1.0
   33    49    52    53  -0.09450 -1.0 2.0
   33    49    52    53   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    47   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    52   0.23400  1.0 3.0
   38    33    49    47   0.34400  1.0 1.0
   38    33    49    47   0.09450 -1.0 2.0
   38    33    49    47   0.11100  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    52   1.05650  1.0 1.0
   38    33    49    52   0.15600 -1.0 2.0
   38    33    49    52   0.53150  1.0 3.0
   38    40    41    42   0.00000  1.0 1.0
   38    40    41    43   0.00000  1.0 1.0
   38    40   -41    47   0.09850  1.0 1.0
   38    40   -41    47   0.15250 -1.0 2.0
   38    40   -41    47  -0.50650  1.0 3.0
   38    40    44    45  -0.04000 -1.0 2.0
   38    40    44    45  -0.29050  1.0 3.0
   38    40    44    46  -0.04000 -1.0 2.0
   38    40    44    46  -0.29050  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   40    41    47    48   0.15000  1.0 3.0
   40    41    47    49   0.34400  1.0 1.0
   40    41    47    49   0.09450 -1.0 2.0
   40    41    47    49   0.11100  1.0 3.0
   40    41    47    51   0.61850  1.0 1.0
   40    41    47    51  -0.22750 -1.0 2.0
   40    41    47    51   0.15300  1.0 3.0
   41    40    44    45  -0.64400  1.0 1.0
   41    40    44    45   0.26850 -1.0 2.0
   41    40    44    46  -0.64400  1.0 1.0
   41    40    44    46   0.26850 -1.0 2.0
   41    47   -49    33   0.56750  1.0 1.0
   41    47   -49    33  -0.07550 -1.0 2.0
   41    47   -49    33   0.20000  1.0 3.0
   41    47    49    50   0.15000  1.0 3.0
   41    47    49    52   0.86500  1.0 1.0
   41    47    49    52  -0.17500 -1.0 2.0
   41    47    49    52   0.20800  1.0 3.0
   41    47    51    54  -0.46850  1.0 1.0
   41    47    51    54   0.09300 -1.0 2.0
   41    47    51    54  -0.12850  1.0 3.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    51   0.23400  1.0 3.0
   43    41    47    48   0.15000  1.0 3.0
   43    41    47    49   0.15000  1.0 3.0
   43    41    47    51   0.23400  1.0 3.0
   47    49    52    53  -0.11600  1.0 1.0
   47    49    52    53  -0.09450 -1.0 2.0
   47    49    52    53   0.21250  1.0 3.0
   47    51    54    55  -2.26850  1.0 1.0
   47    51    54    55   3.39050 -1.0 2.0
   47    51    54    58   0.15100 -1.0 2.0
   48    47    49    33   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.23400  1.0 3.0
   48    47    51    54   0.08050  1.0 3.0
   49    33    38    39   0.00000  1.0 1.0
   49    33   -38    40   0.09850  1.0 1.0
   49    33   -38    40   0.15250 -1.0 2.0
   49    33   -38    40  -0.50650  1.0 3.0
   49    47    51    54  -0.46850  1.0 1.0
   49    47    51    54   0.09300 -1.0 2.0
   49    47    51    54  -0.12850  1.0 3.0
   50    49    52    53   0.19450  1.0 3.0
   51    47    49    33   0.62750  1.0 1.0
   51    47    49    33  -0.30950 -1.0 2.0
   51    47    49    33   0.27300  1.0 3.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52   3.69350  1.0 1.0
   51    47    49    52  -1.82950 -1.0 2.0
   51    54    55    56   7.00000 -1.0 2.0
   51    54    55    57   7.00000 -1.0 2.0
   51    54    58    59  -0.11900  1.0 1.0
   51    54    58    59   0.76850 -1.0 2.0
   51    54    58    59   0.14100  1.0 3.0
   51    54    58    60  -0.11900  1.0 1.0
   51    54    58    60   0.76850 -1.0 2.0
   51    54    58    60   0.14100  1.0 3.0
   55    54    58    59  -0.04000 -1.0 2.0
   55    54    58    59  -0.29050  1.0 3.0
   55    54    58    60  -0.04000 -1.0 2.0
   55    54    58    60  -0.29050  1.0 3.0
   58    54    55    56   7.00000 -1.0 2.0
   58    54    55    57   7.00000 -1.0 2.0
   44    40    41    42   0.15000  1.0 3.0
   44    40    41    43   0.15000  1.0 3.0
   44    40    41    47   0.09700  1.0 1.0
   44    40    41    47   0.15600 -1.0 2.0
   44    40    41    47  -0.50800  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   51    58    54    55  15.00000 -1.0 2.0
   56    57    55    54  15.00000 -1.0 2.0
   59    54    58    60  10.50000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
