* LIGAND DATABASE FILE (OPLS2005)
*
001      66    67    118    186     349
    1     0 S   NP   _N1_     1    28.94663    93.12326   -22.19833
    2     1 S   H    _HN1     2     1.02988    96.02799    19.91984
    3     1 S   H    _H1_     3     1.02837    22.51827   140.57215
    4     1 S   H    _H2_     4     1.02750    93.66146   -88.99032
    5     1 S   CT   _CA1     5     1.50139   133.21671   145.46325
    6     5 S   HC   _HA1     6     1.09575   105.25915    56.78728
    7     5 S   CO3  _C1_     7     1.53789   112.24635   -63.39232
    8     7 S   O2Z  _O11     8     1.26359   115.01139   -44.82053
    9     7 S   O2Z  _O12     9     1.26247   114.91070   134.26850
   10     5 S   CT   _CB1    10     1.53055   107.44644   174.64796
   11    10 S   HC   HB11    11     1.09740   109.23884   -51.36156
   12    10 S   HC   HB12    12     1.09792   110.30949    65.32880
   13    10 S   CT   _CG1    13     1.52985   112.90300  -172.24243
   14    13 S   HC   HG11    14     1.09592   110.31459   -60.59191
   15    13 S   HC   HG12    15     1.09624   110.15047    58.62530
   16    13 S   C    _CD1    16     1.51850   112.20236   178.98413
   17    16 S   O    _OE1    17     1.22721   123.30089    -9.70357
   18    16 S   N    _N2_    18     1.38654   111.69193   170.68559
   19    18 S   H    _HN2    19     1.01570   119.10693     3.48723
   20    18 S   CT1  _CA2    20     1.46157   123.28398  -176.10831
   21    20 S   HC   _HA2    21     1.09600   109.17769    -3.29325
   22    20 S   C    _C2_    22     1.53350   108.82536  -118.91395
   23    22 S   O    _O2_    23     1.23041   122.13969  -144.90200
   24    20 S   CT   _CB2    32     1.53530   111.37691   118.68695
   25    24 S   HC   HB21    33     1.09653   109.58994    62.16781
   26    24 S   HC   HB22    34     1.09563   111.25307   179.87646
   27    22 S   N    _N3_    24     1.38480   113.55078    42.44972
   28    27 S   H    _HN3    25     1.01502   119.02055    -0.09891
   29    24 S   S    _SG2    35     1.82749   113.58908   -56.99628
   30    27 S   CT   _CA3    26     1.45432   123.19598   175.50800
   31    30 S   HC   HA31    27     1.09543   108.93967    29.77559
   32    30 S   HC   HA32    28     1.09490   107.18184   146.70123
   33    29 S   CT   _C4_    36     1.82789   100.01586   -77.44672
   34    33 S   HC   _H7_    37     1.09426   107.35921   -88.26105
   35    33 S   HC   _H8_    38     1.09344   109.46800    30.02714
   36    30 S   CO3  _C3_    29     1.52936   113.37381   -93.51765
   37    36 S   O2Z  _O31    30     1.26379   115.50630   -42.84737
   38    36 S   O2Z  _O32    31     1.26379   114.91634   138.14913
   39    33 S   CT   _C5_    39     1.52749   109.97536   151.15468
   40    39 S   HC   _H3_    40     1.09799   111.26662    42.17708
   41    39 S   CT   _C6_    41     1.53173   114.37110   165.62885
   42    41 S   HC   _H4_    42     1.09457   111.12123   -85.08102
   43    41 S   CT   _C7_    43     1.51499   101.69826   152.90084
   44    43 S   HC   _H5_    44     1.09450   114.68621  -158.83016
   45    41 S   OH   _O37    65     1.42280   111.06752    36.13369
   46    45 S   HO   _H15    66     0.97280   107.59076   179.19254
   47    43 S   CO   _C8_    45     1.53033   101.24779   -38.60640
   48    47 S   HC   _H6_    46     1.09667   108.64491   -82.07445
   49    43 S   OH   _O36    63     1.42661   109.53087    78.50747
   50    49 S   HO   _H14    64     0.97273   107.46864    66.91883
   51    39 S   OS   _O33    47     1.44427   109.49115   -75.54864
   52    47 S   NE   _N4_    48     1.44521   111.84273   154.76404
   53    52 S   H    _H9_    49     1.01444   115.31831   -28.56097
   54    52 S   CM   _C9_    50     1.38886   128.11275   158.25641
   55    54 S   CM   _C10    51     1.35613   120.86947   177.45739
   56    55 S   C    _C11    52     1.50119   119.13278   179.87489
   57    56 S   O    _O34    53     1.22979   121.41143   176.84918
   58    55 S   NE   _N7_    60     1.36968   126.28544    -0.35718
   59    58 S   H    _H12    61     1.01016   121.18447     0.01978
   60    58 S   H    _H13    62     1.01363   119.09923  -179.77532
   61    56 S   NNB  _N5_    54     1.37667   116.03104    -2.40940
   62    61 S   H    _H10    55     1.01417   117.51161  -178.38553
   63    61 S   C    _C12    56     1.37983   125.25227     3.50258
   64    63 S   O    _O35    57     1.23051   122.28515   177.53486
   65    54 S   NNB  _N6_    58     1.38213   120.24645    -2.54853
   66    65 S   H    _H11    59     1.01413   117.50588     2.80093
  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  12   6  11   7  11   7   4   1   9   5
   3   1   3   8   3  11  10   9   4   4   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    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    51    45  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    51    52    49    45    46  
   41    42    43    47    51    45  
   42    43    44    47    48    51    52    49    50    45    46  
   43    44    47    51    49    45    46  
   44    47    48    51    52    53    54    49    50    45    46  
   47    48    51    52    49    50    45  
   46    47    49    51  
    0  
   48    51    52    53    54    55    65    49    50  
   51    52    53    54    49  
   50    51    52  
    0  
   52    53    54  
   53    54    55    56    63    65    66    58  
   54    55    65  
   55    56    57    61    63    64    65    66    58    59    60  
   56    57    61    62    63    65    66    58    59    60  
   57    61    62    63    64    65    58    59    60  
   61    62    63    58  
   59    60    61    65  
   60  
    0  
   62    63    64    65    66  
   63    64    65  
   64    65    66  
   65    66  
   66  
    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   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.100000   1.4250   1.2500   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.2500   0.1700  -0.598700   1.8650   1.6500   0.051222218  -2.220205820
   53   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0800   0.302500   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0800   0.152500   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.450000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.420000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.2500   0.1700  -0.829900   1.8650   1.6500   0.051222218  -2.220205820
   59   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   61   3.2500   0.1700  -0.510000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.360000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.400000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.2500   0.1700  -0.600000   1.8100   1.6000   0.054801302  -1.445846770
   66   0.5000   0.0300   0.410000   1.5900   1.4000   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   268.000  1.529
   39    51   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   320.000  1.380
   47    52   320.000  1.442
   52    53   434.000  1.010
   52    54   425.000  1.378
   54    55   549.000  1.340
   54    65   448.000  1.365
   55    56   410.000  1.444
   55    58   425.000  1.378
   56    57   570.000  1.229
   56    61   418.000  1.388
   61    62   434.000  1.010
   61    63   418.000  1.388
   63    64   570.000  1.229
   63    65   418.000  1.388
   65    66   434.000  1.010
   58    59   434.000  1.010
   58    60   434.000  1.010
   49    50   553.000  0.945
   45    46   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    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    58.35000  112.70000
   33    39    51    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    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    51    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    51    90.00000  108.56700
   43    47    52    85.00000  109.98000
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    52    53    50.00000  113.12000
   47    52    54    50.00000  121.00000
   51    39    40    35.00000  109.50000
   51    39    41    50.00000  109.50000
   51    47    48    35.00000  109.50000
   52    47    48    50.00000  108.16000
   52    47    51    95.00000  112.71300
   52    54    55    70.00000  124.03900
   52    54    65    80.00000  120.00000
   54    52    53    35.00000  114.50000
   54    55    56    70.00000  118.70000
   54    55    58    70.00000  124.03900
   54    65    63    70.00000  121.60000
   54    65    66    35.00000  119.20000
   55    56    57    80.00000  125.30000
   55    56    61    70.00000  114.10000
   55    58    59    35.00000  114.50000
   55    58    60    35.00000  114.50000
   56    61    62    35.00000  116.80000
   56    61    63    70.00000  126.40000
   61    56    57    80.00000  120.60000
   61    63    64    80.00000  120.60000
   61    63    65    70.00000  118.60000
   63    61    62    35.00000  116.80000
   63    65    66    35.00000  116.80000
   65    54    55    70.00000  121.20000
   65    63    64    80.00000  120.60000
   58    55    56    70.00000  117.92000
   60    58    59    35.00000  109.00000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
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   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    51   0.56750  1.0 1.0
   29    33    39    51  -0.07550 -1.0 2.0
   29    33    39    51   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    51    47   0.06250  1.0 1.0
   33    39    51    47  -0.01100 -1.0 2.0
   33    39    51    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    51   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    51   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    51    47   0.37050  1.0 3.0
   41    39   -51    47   0.06250  1.0 1.0
   41    39   -51    47  -0.01100 -1.0 2.0
   41    39   -51    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    51   0.62750  1.0 1.0
   41    43   -47    51  -0.30950 -1.0 2.0
   41    43   -47    51   0.27300  1.0 3.0
   41    43    47    52   0.86200  1.0 1.0
   41    43    47    52   0.12850 -1.0 2.0
   41    43    47    52   0.15950  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47   -51    39   0.06250  1.0 1.0
   43    47   -51    39  -0.01100 -1.0 2.0
   43    47   -51    39   0.28050  1.0 3.0
   43    47    52    53   0.00000  1.0 1.0
   43    47    52    54   0.25450  1.0 1.0
   43    47    52    54  -0.61700 -1.0 2.0
   43    47    52    54  -0.23550  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.23400  1.0 3.0
   44    43    47    52   0.22950  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    52    54    55  -0.54700  1.0 1.0
   47    52    54    55   1.23000 -1.0 2.0
   47    52    54    65   1.00000 -1.0 2.0
   48    47    51    39   0.37050  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   51    39    41    42   0.23400  1.0 3.0
   51    39   -41    43   0.62750  1.0 1.0
   51    39   -41    43  -0.30950 -1.0 2.0
   51    39   -41    43   0.27300  1.0 3.0
   51    39    41    45   3.69350  1.0 1.0
   51    39    41    45  -1.82950 -1.0 2.0
   51    47    52    53  -1.49000  1.0 1.0
   51    47    52    53  -2.58450 -1.0 2.0
   51    47    52    54   0.75000  1.0 1.0
   51    47    52    54  -0.75000 -1.0 2.0
   52    47    51    39  -0.25000  1.0 1.0
   52    47    51    39  -0.75000 -1.0 2.0
   52    47    51    39   0.50000  1.0 3.0
   52    54    55    56   7.00000 -1.0 2.0
   52    54    55    58   7.00000 -1.0 2.0
   52    54    65    63  -0.56400  1.0 1.0
   52    54    65    63   0.77500 -1.0 2.0
   52    54    65    63   0.18700  1.0 3.0
   52    54    65    66   1.00000 -1.0 2.0
   53    52    54    55   1.00000 -1.0 2.0
   53    52    54    65   1.00000 -1.0 2.0
   54    55    56    57   1.00000 -1.0 2.0
   54    55    56    61   1.50000 -1.0 2.0
   54    55    58    59   1.00000 -1.0 2.0
   54    55    58    60   1.00000 -1.0 2.0
   55    54    65    63   3.62500 -1.0 2.0
   55    54    65    66   1.52500 -1.0 2.0
   55    56    61    62   1.52500 -1.0 2.0
   55    56   -61    63   7.00000 -1.0 2.0
   56    55    58    59   1.00000 -1.0 2.0
   56    55    58    60   1.00000 -1.0 2.0
   56    61    63    64   3.04450 -1.0 2.0
   56    61    63    65   2.32500 -1.0 2.0
   57    56    61    62   2.45000 -1.0 2.0
   57    56    61    63   3.04450 -1.0 2.0
   61    63   -65    54   2.32500 -1.0 2.0
   61    63    65    66   2.32500 -1.0 2.0
   62    61    63    64   2.45000 -1.0 2.0
   62    61    63    65   2.32500 -1.0 2.0
   64    63    65    54   3.04450 -1.0 2.0
   64    63    65    66   2.45000 -1.0 2.0
   65    54   -55    56   7.00000 -1.0 2.0
   65    54    55    58   7.00000 -1.0 2.0
   58    55    56    57  -0.52200  1.0 1.0
   58    55    56    57   0.82950 -1.0 2.0
   58    55    56    61   1.50000 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   3.69350  1.0 1.0
   49    43    47    51  -1.82950 -1.0 2.0
   49    43    47    52   4.07950  1.0 1.0
   49    43    47    52  -0.26450 -1.0 2.0
   49    43    47    52  -0.12150  1.0 3.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   53    54    52    47   1.00000 -1.0 2.0
   52    65    54    55   1.10000 -1.0 2.0
   56    58    55    54   1.10000 -1.0 2.0
   55    61    56    57  10.50000 -1.0 2.0
   62    56    61    63   1.00000 -1.0 2.0
   61    65    63    64  10.50000 -1.0 2.0
   66    63    65    54   1.00000 -1.0 2.0
   60    55    58    59   1.00000 -1.0 2.0
END
