* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    111    161     321
    1     0 S   NP   _N1_     1    28.77540    96.37387   -23.92440
    2     1 S   H    _HN1     2     1.02785   108.24429   -95.44953
    3     1 S   H    _H1_     3     1.02949    72.87800     8.77360
    4     1 S   H    _H2_     4     1.02827    36.21402   168.95450
    5     1 S   CT   _CA1     5     1.50118   135.25302   110.72058
    6     5 S   HC   _HA1     6     1.09573   105.18879    91.72556
    7     5 S   CO3  _C1_     7     1.53787   112.47741   -28.49873
    8     7 S   O2Z  _O11     8     1.26372   115.00440   -42.03334
    9     7 S   O2Z  _O12     9     1.26240   114.94873   137.08713
   10     5 S   CT   _CB1    10     1.53077   107.41571  -150.28774
   11    10 S   HC   HB11    11     1.09833   109.36383   -49.63480
   12    10 S   HC   HB12    12     1.09812   110.44750    66.97289
   13    10 S   CT   _CG1    13     1.52990   112.61436  -170.61161
   14    13 S   HC   HG11    14     1.09580   110.63404   -65.89638
   15    13 S   HC   HG12    15     1.09671   109.78125    53.33785
   16    13 S   C    _CD1    16     1.51801   112.22014   173.78700
   17    16 S   O    _OE1    17     1.22731   123.28416     7.21521
   18    16 S   N    _N2_    18     1.38658   111.67391  -172.84975
   19    18 S   H    _HN2    19     1.01577   118.92234     1.72669
   20    18 S   CT1  _CA2    20     1.46198   123.39583   177.46040
   21    20 S   HC   _HA2    21     1.09736   109.36086     3.39938
   22    20 S   C    _C2_    22     1.53568   108.59927  -112.09341
   23    22 S   O    _O2_    23     1.23060   122.28422  -147.61785
   24    20 S   CT   _CB2    32     1.53335   111.61159   125.40421
   25    24 S   HC   HB21    33     1.09594   110.08407    56.27492
   26    24 S   HC   HB22    34     1.09454   110.04819   175.28445
   27    22 S   N    _N3_    24     1.38329   113.71756    39.79874
   28    27 S   H    _HN3    25     1.01580   119.58730    -3.25016
   29    24 S   S    _SG2    35     1.82786   111.51357   -64.43526
   30    27 S   CT   _CA3    26     1.45286   123.22726   177.16994
   31    30 S   HC   HA31    27     1.09549   107.50349   -64.78167
   32    30 S   HC   HA32    28     1.09556   107.99580    51.66218
   33    29 S   CT   _C13    36     1.83886    99.58736   178.26731
   34    33 S   Br   BR16    37     1.96696   107.41189    81.65412
   35    33 S   HC   _H3_    38     1.09414   107.93186   -33.03249
   36    30 S   CO3  _C3_    29     1.52964   114.07157   173.66213
   37    36 S   O2Z  _O31    30     1.26377   116.06689    -0.74546
   38    36 S   O2Z  _O32    31     1.26428   114.41392   179.31614
   39    33 S   CO   _C10    39     1.55605   112.94787  -155.81918
   40    39 S   CM   _C4_    40     1.54149   112.91327   179.10869
   41    39 S   OH   _O34    61     1.43738   106.82162    60.86527
   42    41 S   HO   _H28    62     0.97160   108.47146   156.21368
   43    40 S   CM   _C5_    41     1.34834   120.10056   127.73216
   44    43 S   Cl   CL14    42     1.73031   123.47287  -178.00355
   45    40 S   CT   _C11    57     1.51042   116.09851   -53.32178
   46    45 S   HC   _H21    58     1.09499   110.51757   -45.21683
   47    45 S   HC   _H22    59     1.09308   113.36586  -164.31875
   48    45 S   HC   _H23    60     1.09408   110.59164    74.81439
   49    43 S   CT   _C8_    43     1.50115   122.35157     2.73995
   50    49 S   HC   _H18    44     1.09705   110.87876   140.90198
   51    49 S   HC   _H19    45     1.09691   107.68079  -101.60446
   52    49 S   CT   _C9_    46     1.53051   110.27413    20.02160
   53    52 S   HC   _H20    47     1.09648   109.82137    65.19914
   54    39 S   OS   _O33    48     1.44065   106.75996   -56.53149
   55    52 S   CM   _C7_    49     1.51902   111.96806  -172.35204
   56    55 S   CM   _C6_    50     1.34259   124.01268  -104.04844
   57    56 S   Cl   CL15    51     1.71308   126.03363     1.22764
   58    56 S   HC   _H17    52     1.08311   123.17675  -179.68102
   59    55 S   CT   _C12    53     1.50882   116.85825    76.19971
   60    59 S   HC   _H24    54     1.09402   110.82680   -57.74245
   61    59 S   HC   _H25    55     1.09472   110.65638    62.82030
   62    59 S   HC   _H26    56     1.09563   112.08837  -177.48705
  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
  10   5   4   2   1   1  14  13   5   1  12   5   5   2   1   1
   8   5   4  10   4   3   7   6   2   1   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    54    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    43    52    54    45    41    42  
   35    39    40    54    41  
   39    40    54    41  
   37    38  
   38  
    0  
   40    43    44    49    52    53    54    55    45    46    47    48    41    42  
   43    44    49    50    51    52    54    45    46    47    48    41    42  
   42    43    45    52    54  
   54  
   44    49    50    51    52    53    54    55    45    46    47    48  
   49    50    51    52    45  
   46    47    48    49    54  
   47    48  
   48  
    0  
   50    51    52    53    54    55    56    59  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    60    61    62  
   54    55    56    59  
   55    56    59  
   56    57    58    59    60    61    62  
   57    58    59    60    61    62  
   58    59  
   59  
   60    61    62  
   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  -0.175000   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   0.065000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   35   2.5000   0.0300   0.146400   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   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.005000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   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    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   245.000  1.990
   33    35   340.000  1.090
   33    39   250.000  1.527
   39    40   317.000  1.510
   39    54   320.000  1.380
   39    41   380.000  1.407
   40    43   549.000  1.340
   40    45   317.000  1.510
   43    44   300.000  1.725
   43    49   317.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   320.000  1.410
   52    55   317.000  1.510
   55    56   549.000  1.340
   55    59   317.000  1.510
   56    57   300.000  1.725
   56    58   340.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   41    42   553.000  0.945
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    65.00000  111.00000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    70.00000  112.02700
   33    39    54    90.00000  108.56700
   33    39    41    90.00000  110.19100
   35    33    34    51.00000  107.60000
   39    33    34    70.00000  109.17700
   39    33    35    45.00000  108.72000
   39    40    43    70.00000  124.00000
   39    40    45    65.00000  117.92700
   39    54    52    60.00000  109.50000
   39    41    42    70.00000  107.92000
   40    43    44    75.00000  121.50000
   40    43    49    70.00000  124.00000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    70.00000  112.02700
   49    43    44    75.00000  111.02000
   49    52    53    37.50000  110.70000
   49    52    54    50.00000  109.50000
   49    52    55    70.00000  112.02700
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    70.00000  124.00000
   52    55    59    65.00000  117.92700
   54    39    40    85.00000  110.90400
   54    52    53    35.00000  109.50000
   55    52    53    35.00000  109.50000
   55    52    54    85.00000  110.90400
   55    56    57    75.00000  121.50000
   55    56    58    35.00000  120.00000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   58    56    57    60.00000  114.00000
   59    55    56    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   45    40    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   41    39    40    90.00000  110.39200
   41    39    54   110.00000  112.08000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    54   0.56750  1.0 1.0
   29    33    39    54  -0.07550 -1.0 2.0
   29    33    39    54   0.20000  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
   33    39    40    43   0.09850  1.0 1.0
   33    39    40    43   0.15250 -1.0 2.0
   33    39    40    43  -0.50650  1.0 3.0
   33    39    40    45   0.46850  1.0 1.0
   33    39    40    45   0.08550 -1.0 2.0
   33    39    40    45   0.09800  1.0 3.0
   33    39    54    52   0.06250  1.0 1.0
   33    39    54    52  -0.01100 -1.0 2.0
   33    39    54    52   0.28050  1.0 3.0
   33    39    41    42  -0.11600  1.0 1.0
   33    39    41    42  -0.09450 -1.0 2.0
   33    39    41    42   0.21250  1.0 3.0
   34    33    39    40   0.56750  1.0 1.0
   34    33    39    40  -0.07550 -1.0 2.0
   34    33    39    40   0.20000  1.0 3.0
   34    33    39    54   0.56750  1.0 1.0
   34    33    39    54  -0.07550 -1.0 2.0
   34    33    39    54   0.20000  1.0 3.0
   34    33    39    41   0.56750  1.0 1.0
   34    33    39    41  -0.07550 -1.0 2.0
   34    33    39    41   0.20000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    54   0.23400  1.0 3.0
   35    33    39    41   0.23400  1.0 3.0
   39    40    43    44   7.00000 -1.0 2.0
   39    40    43    49   7.00000 -1.0 2.0
   39    40    45    46   0.34800  1.0 3.0
   39    40    45    47   0.34800  1.0 3.0
   39    40    45    48   0.34800  1.0 3.0
   40    39    54    52  -0.77900  1.0 1.0
   40    39    54    52  -0.36900 -1.0 2.0
   40    39    54    52   0.40400  1.0 3.0
   40    39    41    42  -0.07800  1.0 1.0
   40    39    41    42  -0.21500 -1.0 2.0
   40    39    41    42  -0.03150  1.0 3.0
   40    43    49    50   0.00000  1.0 1.0
   40    43    49    51   0.00000  1.0 1.0
   40    43   -49    52   0.09850  1.0 1.0
   40    43   -49    52   0.15250 -1.0 2.0
   40    43   -49    52  -0.50650  1.0 3.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    47   0.00000  1.0 1.0
   43    40    45    48   0.00000  1.0 1.0
   43    49    52    53   0.15000  1.0 3.0
   43    49    52    54   0.61850  1.0 1.0
   43    49    52    54  -0.22750 -1.0 2.0
   43    49    52    54   0.15300  1.0 3.0
   43    49    52    55   0.31000  1.0 1.0
   43    49    52    55   0.14700 -1.0 2.0
   43    49    52    55   0.07550  1.0 3.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.00000  1.0 1.0
   44    43    49    52   0.09700  1.0 1.0
   44    43    49    52   0.15600 -1.0 2.0
   44    43    49    52  -0.50800  1.0 3.0
   49    52   -54    39   0.06250  1.0 1.0
   49    52   -54    39  -0.01100 -1.0 2.0
   49    52   -54    39   0.28050  1.0 3.0
   49    52    55    56   0.09850  1.0 1.0
   49    52    55    56   0.15250 -1.0 2.0
   49    52    55    56  -0.50650  1.0 3.0
   49    52    55    59   0.46850  1.0 1.0
   49    52    55    59   0.08550 -1.0 2.0
   49    52    55    59   0.09800  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.23400  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.23400  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    56    57   7.00000 -1.0 2.0
   52    55    56    58   7.00000 -1.0 2.0
   52    55    59    60   0.34800  1.0 3.0
   52    55    59    61   0.34800  1.0 3.0
   52    55    59    62   0.34800  1.0 3.0
   53    52    54    39   0.37050  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    59   0.34800  1.0 3.0
   54    39   -40    43   0.39000  1.0 1.0
   54    39   -40    43  -0.05800 -1.0 2.0
   54    39   -40    43  -0.55150  1.0 3.0
   54    39    40    45   0.09700  1.0 1.0
   54    39    40    45   0.15600 -1.0 2.0
   54    39    40    45  -0.50800  1.0 3.0
   54    39    41    42  -0.50000  1.0 1.0
   54    39    41    42  -0.73950 -1.0 2.0
   54    39    41    42   0.17150  1.0 3.0
   54    52    55    56   0.39000  1.0 1.0
   54    52    55    56  -0.05800 -1.0 2.0
   54    52    55    56  -0.55150  1.0 3.0
   54    52    55    59   0.09700  1.0 1.0
   54    52    55    59   0.15600 -1.0 2.0
   54    52    55    59  -0.50800  1.0 3.0
   55    52    54    39  -0.77900  1.0 1.0
   55    52    54    39  -0.36900 -1.0 2.0
   55    52    54    39   0.40400  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    62   0.00000  1.0 1.0
   59    55    56    57   7.00000 -1.0 2.0
   59    55    56    58   7.00000 -1.0 2.0
   45    40    43    44   7.00000 -1.0 2.0
   45    40    43    49   7.00000 -1.0 2.0
   41    39    40    43   0.67800  1.0 1.0
   41    39    40    43   0.47050 -1.0 2.0
   41    39    40    43  -0.62500  1.0 3.0
   41    39    40    45   0.18000  1.0 1.0
   41    39    40    45   0.16450 -1.0 2.0
   41    39    40    45   0.04450  1.0 3.0
   41    39    54    52  -0.81800  1.0 1.0
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
   39    45    40    43   1.10000 -1.0 2.0
   49    44    43    40   1.10000 -1.0 2.0
   52    59    55    56  15.00000 -1.0 2.0
   57    58    56    55  15.00000 -1.0 2.0
END
