* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    130    189     372
    1     0 S   NP   _N1_     1    28.96943    93.62403   -22.42666
    2     1 S   H    _HN1     2     1.02974    94.28504    15.08125
    3     1 S   H    _H1_     3     1.02824    22.92948   140.67449
    4     1 S   H    _H2_     4     1.02765    95.05622   -93.58580
    5     1 S   CT   _CA1     5     1.50154   133.75900   138.91483
    6     5 S   HC   _HA1     6     1.09557   105.35238    61.19630
    7     5 S   CO3  _C1_     7     1.53779   112.29697   -59.34425
    8     7 S   O2Z  _O11     8     1.26377   115.02664   -46.30402
    9     7 S   O2Z  _O12     9     1.26238   114.89461   132.85542
   10     5 S   CT   _CB1    10     1.52918   107.24431   179.27801
   11    10 S   HC   HB11    11     1.09754   109.41955   -49.70110
   12    10 S   HC   HB12    12     1.09711   110.08887    67.00822
   13    10 S   CT   _CG1    13     1.52862   113.16184  -170.88275
   14    13 S   HC   HG11    14     1.09584   110.51034   -60.37986
   15    13 S   HC   HG12    15     1.09620   110.13967    59.04045
   16    13 S   C    _CD1    16     1.51825   111.77237   179.37317
   17    16 S   O    _OE1    17     1.22742   123.28853    -5.02902
   18    16 S   N    _N2_    18     1.38579   111.76181   175.05747
   19    18 S   H    _HN2    19     1.01580   119.15292     2.26036
   20    18 S   CT1  _CA2    20     1.46057   123.13905  -178.02187
   21    20 S   HC   _HA2    21     1.09611   109.33798    -6.19862
   22    20 S   C    _C2_    22     1.53424   108.91559  -121.61608
   23    22 S   O    _O2_    23     1.23037   122.06595  -147.71965
   24    20 S   CT   _CB2    32     1.53342   111.48781   115.87088
   25    24 S   HC   HB21    33     1.09657   109.64165    61.83533
   26    24 S   HC   HB22    34     1.09568   110.97009   179.23077
   27    22 S   N    _N3_    24     1.38457   113.54303    39.81261
   28    27 S   H    _HN3    25     1.01510   118.94004    -0.75121
   29    24 S   S    _SG2    35     1.82880   114.48294   -57.91753
   30    27 S   CT   _CA3    26     1.45453   123.49374   174.88507
   31    30 S   HC   HA31    27     1.09519   109.29404    23.46552
   32    30 S   HC   HA32    28     1.09496   107.11470   140.49565
   33    29 S   CT   _C15    36     1.82301    99.82894   -67.90908
   34    33 S   HC   _H20    37     1.09218   108.91658    68.37174
   35    33 S   HC   _H21    38     1.09464   108.87428   -50.21955
   36    30 S   CO3  _C3_    29     1.52925   113.05149  -100.03689
   37    36 S   O2Z  _O31    30     1.26407   115.38655   -44.60424
   38    36 S   O2Z  _O32    31     1.26349   114.99289   136.29707
   39    33 S   CT   _C14    39     1.53155   109.55622  -170.58516
   40    39 S   HC   _H18    40     1.09811   109.68560   -62.40122
   41    39 S   HC   _H19    41     1.09904   108.42939    54.26856
   42    39 S   CT   _C11    42     1.53989   111.87313   174.28557
   43    42 S   HC   _H3_    43     1.09548   109.71007   -52.69868
   44    42 S   CT   _C12    44     1.54935   114.51977    73.81980
   45    44 S   HC   _H4_    45     1.09556   108.91677   -39.70444
   46    44 S   NT   _N7_    46     1.47665   105.88610    77.32288
   47    44 S   CT   _C13    68     1.53918   111.02430  -156.66784
   48    47 S   HC   _H15    69     1.09437   112.75610   -64.38228
   49    47 S   HC   _H16    70     1.09378   111.42920   174.16918
   50    47 S   HC   _H17    71     1.09580   110.13294    55.73944
   51    46 S   CT   _C10    47     1.46295   108.39201    49.09247
   52    51 S   HC   _H13    48     1.09562   112.28042    84.66150
   53    51 S   HC   _H14    49     1.09420   110.82278  -153.77377
   54    46 S   CT   _C9_    51     1.46503   116.75370   176.25012
   55    54 S   HC   _H11    52     1.09739   111.12649   -60.17568
   56    54 S   HC   _H12    53     1.09911   109.23714  -175.51489
   57    42 S   S    _S1_    50     1.82762   108.30910  -170.97154
   58    54 S   CA   _C7_    54     1.50764   114.06452    65.54472
   59    58 S   CA   _C6_    55     1.38709   120.50263  -117.47217
   60    59 S   HA   _H8_    56     1.08600   121.27430     1.14757
   61    59 S   NB   _N4_    57     1.34609   124.39955  -178.62541
   62    61 S   CQ   _C5_    58     1.34454   115.47567     0.98715
   63    62 S   NB   _N5_    59     1.34980   125.31327    -0.83953
   64    62 S   CT   _C4_    64     1.49510   117.34983  -178.82563
   65    64 S   HC   _H5_    65     1.09385   109.67320    90.87769
   66    64 S   HC   _H6_    66     1.09419   110.58963  -149.09091
   67    64 S   HC   _H7_    67     1.09427   110.72131   -29.19111
   68    58 S   CA   _C8_    60     1.39417   123.86200    63.73160
   69    68 S   NE   _N6_    61     1.39211   120.60344     0.39565
   70    69 S   H    _H9_    62     1.01315   118.06037   -32.55575
   71    69 S   H    _H10    63     1.01234   116.76061   179.18627
  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  10   5   4  13   6  14   8  14   6   2
   1   1   7   3   2  10   4   3   1   9   7   3   7   7   8   4
   2   1   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    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    57  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    51    57    47  
   41    42    43    44    57  
   42    43    44    57  
   43    44    45    46    51    52    53    57    54    47    48    49    50  
   44    45    46    51    57    47  
   45    46    51    52    53    57    54    55    56    58    47    48    49    50  
   46    51    57    54    47    48    49    50  
   51    52    53    57    54    55    56    58    59    68    47    48    49    50  
   48    49    50    51    54    57  
   49    50  
   50  
    0  
   52    53    57    54    55    56    58  
   53    57    54  
   57    54  
   55    56    58    59    60    61    63    68    69    57  
   56    58    59    68  
   58    59    68  
    0  
   59    60    61    62    63    68    69    70    71  
   60    61    62    63    68    69    64  
   61    62    68  
   62    63    68    64    65    66    67  
   63    68    69    64    65    66    67  
   68    69    70    71    64    65    66    67  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71  
   70    71  
   71  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.257500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   58   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   0.268726247
   61   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   62   3.5500   0.0700   0.727000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   64   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.360000   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   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    57   222.000  1.810
   44    45   340.000  1.090
   44    46   382.000  1.448
   44    47   268.000  1.529
   46    51   382.000  1.448
   46    54   382.000  1.448
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   222.000  1.810
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   317.000  1.510
   58    59   469.000  1.400
   58    68   469.000  1.400
   59    60   367.000  1.080
   59    61   483.000  1.339
   61    62   502.000  1.324
   62    63   502.000  1.324
   62    64   317.000  1.510
   63    68   483.000  1.339
   68    69   481.000  1.340
   69    70   434.000  1.010
   69    71   434.000  1.010
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
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    37.50000  110.70000
   33    39    42    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    44    58.35000  112.70000
   39    42    57    75.00000  111.63000
   41    39    40    33.00000  107.80000
   42    39    40    37.50000  110.70000
   42    39    41    37.50000  110.70000
   42    44    45    37.50000  110.70000
   42    44    46    56.20000  109.47000
   42    44    47    58.35000  112.70000
   42    57    51    62.00000   98.90000
   44    42    43    37.50000  110.70000
   44    46    51    51.80000  107.20000
   44    46    54    51.80000  107.20000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    57    85.00000  109.00000
   46    54    55    35.00000  109.50000
   46    54    56    35.00000  109.50000
   46    54    58    75.00000  112.33000
   53    51    52    33.00000  107.80000
   57    42    43    35.00000  109.50000
   57    42    44    75.00000  111.63000
   57    51    52    35.00000  109.50000
   57    51    53    35.00000  109.50000
   54    46    51    51.80000  107.20000
   54    58    59    70.00000  120.00000
   54    58    68    70.00000  120.00000
   56    54    55    33.00000  107.80000
   58    54    55    35.00000  109.50000
   58    54    56    35.00000  109.50000
   58    59    60    35.00000  120.00000
   58    59    61    70.00000  124.00000
   58    68    63    70.00000  124.00000
   58    68    69    70.00000  120.10000
   59    61    62    70.00000  118.60000
   61    59    60    35.00000  116.00000
   61    62    63    70.00000  129.10000
   61    62    64    75.00000  115.74700
   62    63    68    70.00000  118.60000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    67    35.00000  109.50000
   63    68    69    80.00000  117.25000
   68    58    59    63.00000  120.00000
   68    69    70    35.00000  113.50000
   68    69    71    35.00000  113.50000
   71    69    70    35.00000  109.00000
   64    62    63    75.00000  115.74700
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    56.20000  109.47000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
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   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.56750  1.0 1.0
   33    39    42    44  -0.07550 -1.0 2.0
   33    39    42    44   0.20000  1.0 3.0
   33    39    42    57   0.44750  1.0 1.0
   33    39    42    57  -0.17800 -1.0 2.0
   33    39    42    57   0.20200  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    42   0.15000  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    42   0.15000  1.0 3.0
   39    42    44    45   0.15000  1.0 3.0
   39    42    44    46   1.53400  1.0 1.0
   39    42    44    46  -0.09950 -1.0 2.0
   39    42    44    46   0.05700  1.0 3.0
   39    42    44    47   0.56750  1.0 1.0
   39    42    44    47  -0.07550 -1.0 2.0
   39    42    44    47   0.20000  1.0 3.0
   39    42    57    51   0.01700  1.0 1.0
   39    42    57    51  -0.23550 -1.0 2.0
   39    42    57    51   0.21350  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    57   0.15000  1.0 3.0
   41    39    42    43   0.15000  1.0 3.0
   41    39    42    44   0.15000  1.0 3.0
   41    39    42    57   0.15000  1.0 3.0
   42    44   -46    51   0.23450  1.0 1.0
   42    44   -46    51   0.02050 -1.0 2.0
   42    44   -46    51   0.25250  1.0 3.0
   42    44    46    54   0.58650  1.0 1.0
   42    44    46    54   0.12600 -1.0 2.0
   42    44    46    54   0.33350  1.0 3.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.15000  1.0 3.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    46   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    57    51   0.32350  1.0 3.0
   44    42   -57    51   0.01700  1.0 1.0
   44    42   -57    51  -0.23550 -1.0 2.0
   44    42   -57    51   0.21350  1.0 3.0
   44    46    51    52   0.28000  1.0 3.0
   44    46    51    53   0.28000  1.0 3.0
   44    46   -51    57   0.23200  1.0 1.0
   44    46   -51    57   0.02100 -1.0 2.0
   44    46   -51    57   0.24950  1.0 3.0
   44    46    54    55   0.28000  1.0 3.0
   44    46    54    56   0.28000  1.0 3.0
   44    46    54    58   0.82600  1.0 1.0
   44    46    54    58  -0.32100 -1.0 2.0
   44    46    54    58   1.02000  1.0 3.0
   45    44    46    51   0.28000  1.0 3.0
   45    44    46    54   0.28000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   46    51   -57    42   0.01700  1.0 1.0
   46    51   -57    42  -0.23550 -1.0 2.0
   46    51   -57    42   0.21350  1.0 3.0
   46    54    58    59   0.18550 -1.0 2.0
   46    54    58    59   0.14000  1.0 3.0
   46    54    58    68   0.18550 -1.0 2.0
   46    54    58    68   0.14000  1.0 3.0
   51    46    54    55   0.28000  1.0 3.0
   51    46    54    56   0.28000  1.0 3.0
   51    46    54    58   0.82600  1.0 1.0
   51    46    54    58  -0.32100 -1.0 2.0
   51    46    54    58   1.02000  1.0 3.0
   52    51    57    42   0.32350  1.0 3.0
   53    51    57    42   0.32350  1.0 3.0
   57    42    44    45   0.15000  1.0 3.0
   57    42   -44    46   0.56750  1.0 1.0
   57    42   -44    46  -0.07550 -1.0 2.0
   57    42   -44    46   0.20000  1.0 3.0
   57    42    44    47   0.44750  1.0 1.0
   57    42    44    47  -0.17800 -1.0 2.0
   57    42    44    47   0.20200  1.0 3.0
   54    46    51    52   0.28000  1.0 3.0
   54    46    51    53   0.28000  1.0 3.0
   54    46    51    57   0.23200  1.0 1.0
   54    46    51    57   0.02100 -1.0 2.0
   54    46    51    57   0.24950  1.0 3.0
   54    58    59    60   3.62500 -1.0 2.0
   54    58    59    61   3.62500 -1.0 2.0
   54    58    68    63   3.62500 -1.0 2.0
   54    58    68    69   3.62500 -1.0 2.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    68   0.00000  1.0 1.0
   56    54    58    59   0.00000  1.0 1.0
   56    54    58    68   0.00000  1.0 1.0
   58    59    61    62   3.62500 -1.0 2.0
   58    68    69    70   1.00000 -1.0 2.0
   58    68    69    71   1.00000 -1.0 2.0
   59    58    68    63   3.62500 -1.0 2.0
   59    58    68    69   3.62500 -1.0 2.0
   59    61   -62    63   3.62500 -1.0 2.0
   59    61    62    64   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   61    62    63    68   3.62500 -1.0 2.0
   61    62    64    65   0.00000  1.0 1.0
   61    62    64    66   0.00000  1.0 1.0
   61    62    64    67   0.00000  1.0 1.0
   62    63   -68    58   3.62500 -1.0 2.0
   62    63    68    69   3.62500 -1.0 2.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    67   0.00000  1.0 1.0
   63    68    69    70   1.75000 -1.0 2.0
   63    68    69    71   1.75000 -1.0 2.0
   68    58    59    60   3.62500 -1.0 2.0
   68    58   -59    61   3.62500 -1.0 2.0
   64    62    63    68   3.62500 -1.0 2.0
   47    44    46    51   0.23450  1.0 1.0
   47    44    46    51   0.02050 -1.0 2.0
   47    44    46    51   0.25250  1.0 3.0
   47    44    46    54   0.23450  1.0 1.0
   47    44    46    54   0.02050 -1.0 2.0
   47    44    46    54   0.25250  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
   37    30    36    38  10.50000 -1.0 2.0
   59    68    58    54   4.00000 -1.0 2.0
   61    60    59    58   1.10000 -1.0 2.0
   64    63    62    61   4.00000 -1.0 2.0
   63    69    68    58   4.00000 -1.0 2.0
   71    68    69    70   1.00000 -1.0 2.0
END
