* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    105    159     309
    1     0 S   NP   _N1_     1    29.23007    91.93542   -20.97781
    2     1 S   H    _HN1     2     1.03279   102.83817    62.28146
    3     1 S   H    _H1_     3     1.02715    13.16036   173.74593
    4     1 S   H    _H2_     4     1.03032    98.14143   -46.86312
    5     1 S   CT   _CA1     5     1.50015   124.32700  -171.19931
    6     5 S   HC   _HA1     6     1.09586   105.20852    58.57976
    7     5 S   CO3  _C1_     7     1.53783   112.53114   -61.34835
    8     7 S   O2Z  _O11     8     1.26311   115.29946   -47.46169
    9     7 S   O2Z  _O12     9     1.26308   114.84252   131.77849
   10     5 S   CT   _CB1    10     1.53069   107.27023   176.09891
   11    10 S   HC   HB11    11     1.09774   108.95106   -53.56521
   12    10 S   HC   HB12    12     1.09751   110.25820    62.80387
   13    10 S   CT   _CG1    13     1.52964   113.25046  -175.36042
   14    13 S   HC   HG11    14     1.09551   109.98884   -64.67587
   15    13 S   HC   HG12    15     1.09609   110.48804    54.24696
   16    13 S   C    _CD1    16     1.51932   111.50333   173.51022
   17    16 S   O    _OE1    17     1.22822   122.66643   -33.57811
   18    16 S   N    _N2_    18     1.38507   112.49500   148.40092
   19    18 S   H    _HN2    19     1.01567   119.21887    -0.36904
   20    18 S   CT1  _CA2    20     1.46154   123.27728   178.81139
   21    20 S   HC   _HA2    21     1.09581   109.21368   -14.21873
   22    20 S   C    _C2_    22     1.53424   108.27422  -129.15910
   23    22 S   O    _O2_    23     1.23030   122.45582  -147.12091
   24    20 S   CT   _CB2    32     1.53387   111.84540   108.48183
   25    24 S   HC   HB21    33     1.09649   109.63977    56.93400
   26    24 S   HC   HB22    34     1.09558   111.08060   174.38609
   27    22 S   N    _N3_    24     1.38411   113.44340    40.55120
   28    27 S   H    _HN3    25     1.01664   119.52619    -3.92371
   29    24 S   S    _SG2    35     1.82812   114.50786   -63.11740
   30    27 S   CT   _CA3    26     1.45300   122.97145   176.71878
   31    30 S   HC   HA31    27     1.09558   107.60837   -61.39116
   32    30 S   HC   HA32    28     1.09562   107.82396    54.96261
   33    29 S   CT   _C12    36     1.83136    99.60852   -69.90877
   34    33 S   HC   _H3_    37     1.09256   107.31373    66.57483
   35    33 S   HC   _H4_    38     1.09490   108.79441   -49.72070
   36    30 S   CO3  _C3_    29     1.52899   114.24687   176.91079
   37    36 S   O2Z  _O31    30     1.26342   116.06193     0.02798
   38    36 S   O2Z  _O32    31     1.26434   114.40255  -179.95154
   39    33 S   CT   _C13    39     1.53489   113.04755  -172.52147
   40    39 S   HC   _H25    40     1.09847   108.04846  -175.02500
   41    39 S   CO3  _C9_    41     1.54583   115.30383    68.85174
   42    41 S   O2Z  _O34    42     1.26491   115.48103  -163.21896
   43    41 S   O2Z  _O14    43     1.26427   115.91942    19.23967
   44    39 S   OS   _O16    44     1.43651   111.45067   -55.28093
   45    44 S   CT   _C11    45     1.42995   114.65207   -80.51428
   46    45 S   HC   _H22    46     1.09771   109.82449    36.16881
   47    45 S   CM   _C6_    47     1.50885   108.29564   150.65745
   48    47 S   HC   _H20    48     1.08596   117.58503   -34.54538
   49    47 S   CM   _C7_    49     1.34312   121.34308   149.18465
   50    49 S   CM   _C4_    50     1.44471   121.05628    -0.57471
   51    50 S   HC   _H18    51     1.08503   119.16345   167.98305
   52    49 S   CO3  _C8_    58     1.52987   120.35718   175.58261
   53    52 S   O2Z  _O33    59     1.26589   116.00214    40.89561
   54    52 S   O2Z  _O13    60     1.26615   115.92698  -137.31849
   55    50 S   CM   _C5_    52     1.34228   120.80354   -13.96607
   56    55 S   HC   _H19    53     1.08540   119.84640  -177.64084
   57    45 S   CT   _C10    54     1.55102   111.80638   -84.47943
   58    57 S   HC   _H21    55     1.09574   108.75527    81.17110
   59    57 S   OH   _O15    56     1.42787   110.53333   -36.25735
   60    59 S   HO   _H26    57     0.97161   107.77537   175.63134
  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   7   5   4   3
   9   5   4   2   1   1   9   5   4   2   1   9  12   7  11   4
   8   9   4   3   1   1   5   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    57  
   41    42    43    44    45  
   42    43    44    45  
   43    44  
   44  
   45    46    47    48    49    55    57    58    59  
   46    47    48    49    50    55    56    57    58    59    60    52  
   47    48    49    55    57    58    59  
   48    49    50    51    55    57    58    59    52    53    54  
   49    50    57    52  
   50    51    55    56    57    52    53    54  
   51    55    56    57    58    59    52    53    54  
   55    56    57    52  
   53    54    55  
   54  
    0  
   56    57    58    59    60  
   57    58    59  
   58    59    60  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.910300   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    44   320.000  1.410
   41    42   656.000  1.250
   41    43   656.000  1.250
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   317.000  1.510
   45    57   268.000  1.529
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   380.000  1.444
   49    52   230.000  1.545
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    56   340.000  1.080
   55    57   317.000  1.510
   57    58   340.000  1.090
   57    59   320.000  1.410
   59    60   553.000  0.945
   52    53   656.000  1.250
   52    54   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  109.69300
   33    39    44    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    70.00000  117.00000
   39    41    43    70.00000  117.00000
   39    44    45    60.00000  109.50000
   41    39    40    35.00000  109.50000
   43    41    42    80.00000  126.00000
   44    39    40    35.00000  109.50000
   44    39    41    85.00000  109.63000
   44    45    46    35.00000  109.50000
   44    45    47    85.00000  110.90400
   44    45    57    50.00000  109.50000
   45    47    48    35.00000  117.00000
   45    47    49    70.00000  124.00000
   45    57    55    70.00000  112.02700
   45    57    58    37.50000  110.70000
   45    57    59    50.00000  109.50000
   47    45    46    35.00000  109.50000
   47    49    50    70.00000  123.01800
   47    49    52    55.00000  124.75400
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  120.00000
   49    50    55    70.00000  123.01800
   49    52    53    85.00000  113.83300
   49    52    54    85.00000  113.83300
   50    55    56    35.00000  120.00000
   50    55    57    70.00000  124.00000
   55    50    51    35.00000  120.00000
   55    57    58    35.00000  109.50000
   55    57    59    90.00000  110.39200
   57    45    46    37.50000  110.70000
   57    45    47    70.00000  112.02700
   57    55    56    35.00000  117.00000
   57    59    60    55.00000  108.50000
   59    57    58    35.00000  109.50000
   52    49    50    55.00000  124.75400
   54    52    53    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.41150 -1.0 2.0
   33    39    41    43   0.41150 -1.0 2.0
   33    39    44    45   0.06250  1.0 1.0
   33    39    44    45  -0.01100 -1.0 2.0
   33    39    44    45   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    44    45    46   0.37050  1.0 3.0
   39    44    45    47  -0.77900  1.0 1.0
   39    44    45    47  -0.36900 -1.0 2.0
   39    44    45    47   0.40400  1.0 3.0
   39    44    45    57   0.06250  1.0 1.0
   39    44    45    57  -0.01100 -1.0 2.0
   39    44    45    57   0.28050  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    44    45   0.37050  1.0 3.0
   41    39    44    45  -1.11000  1.0 1.0
   41    39    44    45   0.50250 -1.0 2.0
   41    39    44    45   0.47450  1.0 3.0
   44    39    41    42   0.30150 -1.0 2.0
   44    39    41    43   0.30150 -1.0 2.0
   44    45    47    48   0.00000  1.0 1.0
   44    45    47    49   0.39000  1.0 1.0
   44    45    47    49  -0.05800 -1.0 2.0
   44    45    47    49  -0.55150  1.0 3.0
   44    45    57    55   0.61850  1.0 1.0
   44    45    57    55  -0.22750 -1.0 2.0
   44    45    57    55   0.15300  1.0 3.0
   44    45    57    58   0.23400  1.0 3.0
   44    45    57    59   3.69350  1.0 1.0
   44    45    57    59  -1.82950 -1.0 2.0
   45    47    49    50   7.00000 -1.0 2.0
   45    47    49    52   7.00000 -1.0 2.0
   45    57    59    60  -0.11600  1.0 1.0
   45    57    59    60  -0.09450 -1.0 2.0
   45    57    59    60   0.21250  1.0 3.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    57    55   0.15000  1.0 3.0
   46    45    57    58   0.15000  1.0 3.0
   46    45    57    59   0.23400  1.0 3.0
   47    45    57    55   0.31000  1.0 1.0
   47    45    57    55   0.14700 -1.0 2.0
   47    45    57    55   0.07550  1.0 3.0
   47    45    57    58   0.15000  1.0 3.0
   47    45    57    59   1.05650  1.0 1.0
   47    45    57    59   0.15600 -1.0 2.0
   47    45    57    59   0.53150  1.0 3.0
   47    49    50    51  -0.18600  1.0 3.0
   47    49   -50    55   0.28850  1.0 1.0
   47    49   -50    55   2.61350 -1.0 2.0
   47    49   -50    55   0.78400  1.0 3.0
   47    49    52    53  -0.04000 -1.0 2.0
   47    49    52    53  -0.29050  1.0 3.0
   47    49    52    54  -0.04000 -1.0 2.0
   47    49    52    54  -0.29050  1.0 3.0
   48    47    49    50   7.00000 -1.0 2.0
   48    47    49    52   7.00000 -1.0 2.0
   49    50    55    56   7.00000 -1.0 2.0
   49    50    55    57   7.00000 -1.0 2.0
   50    49    52    53  -0.04000 -1.0 2.0
   50    49    52    53  -0.29050  1.0 3.0
   50    49    52    54  -0.04000 -1.0 2.0
   50    49    52    54  -0.29050  1.0 3.0
   50    55   -57    45   0.09850  1.0 1.0
   50    55   -57    45   0.15250 -1.0 2.0
   50    55   -57    45  -0.50650  1.0 3.0
   50    55    57    58   0.00000  1.0 1.0
   50    55    57    59   0.67800  1.0 1.0
   50    55    57    59   0.47050 -1.0 2.0
   50    55    57    59  -0.62500  1.0 3.0
   51    50    55    56   7.00000 -1.0 2.0
   51    50    55    57   7.00000 -1.0 2.0
   55    57    59    60  -0.07800  1.0 1.0
   55    57    59    60  -0.21500 -1.0 2.0
   55    57    59    60  -0.03150  1.0 3.0
   56    55    57    45   0.00000  1.0 1.0
   56    55    57    58   0.33100  1.0 3.0
   56    55    57    59   0.00000  1.0 1.0
   57    45    47    48   0.00000  1.0 1.0
   57    45   -47    49   0.09850  1.0 1.0
   57    45   -47    49   0.15250 -1.0 2.0
   57    45   -47    49  -0.50650  1.0 3.0
   58    57    59    60   0.19450  1.0 3.0
   52    49    50    51   0.00000  1.0 1.0
   52    49    50    55  -0.18600  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
   38    30    36    37  10.50000 -1.0 2.0
   42    39    41    43  10.50000 -1.0 2.0
   45    48    47    49   1.10000 -1.0 2.0
   50    52    49    47   1.10000 -1.0 2.0
   49    51    50    55   1.10000 -1.0 2.0
   57    56    55    50   1.10000 -1.0 2.0
   53    49    52    54  10.50000 -1.0 2.0
END
