* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    133    221     402
    1     0 S   NP   _N1_     1    29.78551    93.70980   -25.28430
    2     1 S   H    _HN1     2     1.02832    23.16650  -167.10636
    3     1 S   H    _H1_     3     1.02786   116.67875   -94.70293
    4     1 S   H    _H2_     4     1.02948    83.90018    12.80555
    5     1 S   CT   _CA1     5     1.50091   120.74892   123.01616
    6     5 S   HC   _HA1     6     1.09572   105.22691    82.49134
    7     5 S   CO3  _C1_     7     1.53792   112.40397   -37.80448
    8     7 S   O2Z  _O11     8     1.26369   114.99789   -44.41373
    9     7 S   O2Z  _O12     9     1.26233   114.94508   134.80783
   10     5 S   CT   _CB1    10     1.53097   107.45952  -159.51110
   11    10 S   HC   HB11    11     1.09831   109.42945   -49.92242
   12    10 S   HC   HB12    12     1.09816   110.44996    66.70131
   13    10 S   CT   _CG1    13     1.52994   112.54832  -170.89597
   14    13 S   HC   HG11    14     1.09585   110.61135   -64.47092
   15    13 S   HC   HG12    15     1.09667   109.81557    54.75804
   16    13 S   C    _CD1    16     1.51779   112.25280   175.25765
   17    16 S   O    _OE1    17     1.22739   123.25163     5.94475
   18    16 S   N    _N2_    18     1.38676   111.63965  -174.49327
   19    18 S   H    _HN2    19     1.01606   118.94264     1.41941
   20    18 S   CT1  _CA2    20     1.46070   123.41773   177.56780
   21    20 S   HC   _HA2    21     1.09569   109.33105    -2.93278
   22    20 S   C    _C2_    22     1.53487   108.72998  -117.75226
   23    22 S   O    _O2_    23     1.23044   122.21976  -149.05068
   24    20 S   CT   _CB2    32     1.53396   111.80383   119.70850
   25    24 S   HC   HB21    33     1.09670   109.49734    62.18967
   26    24 S   HC   HB22    34     1.09524   110.93843   179.06959
   27    22 S   N    _N3_    24     1.38310   113.61963    38.48597
   28    27 S   H    _HN3    25     1.01612   119.54712    -3.19083
   29    24 S   S    _SG2    35     1.83174   115.13490   -57.50472
   30    27 S   CT   _CA3    26     1.45284   123.22227   176.94347
   31    30 S   HC   HA31    27     1.09549   107.47273   -65.44782
   32    30 S   HC   HA32    28     1.09556   108.02913    51.00102
   33    29 S   CT   _C10    36     1.82318   100.85293   -60.33317
   34    33 S   HC   _H7_    37     1.09464   108.05990    61.30876
   35    30 S   CO3  _C3_    29     1.52958   114.06589   173.03201
   36    35 S   O2Z  _O31    30     1.26377   116.04720    -0.81996
   37    35 S   O2Z  _O32    31     1.26431   114.41560   179.26591
   38    33 S   CT   _C11    38     1.53119   114.30829   -62.31857
   39    38 S   HC   _H10    39     1.09571   112.91979   -45.69632
   40    38 S   HC   _H11    40     1.09505   111.21302    77.40329
   41    33 S   CT   _C9_    49     1.54245   113.57200  -178.98567
   42    38 S   NE   _N8_    41     1.45849   102.22902  -163.41280
   43    41 S   OH   _O33    50     1.43017   110.88682    49.06297
   44    43 S   HO   _H12    51     0.97258   107.31964   -40.53416
   45    41 S   OH   _O34    52     1.41611   112.24040   -74.80124
   46    45 S   HO   _H13    53     0.97249   107.58996    39.85097
   47    42 S   CDX  _C7_    42     1.38051   123.38603  -142.10563
   48    47 S   NE   _N6_    43     1.38139   112.62540   139.30641
   49    47 S   NI   _N7_    72     1.30245   123.20888   -37.88994
   50    49 S   H    _H6_    73     1.02641   107.41026   178.14903
   51    48 S   CT   _C6_    44     1.46150   123.42205   -25.24435
   52    51 S   HC   _H5_    45     1.09819   108.61321   170.44867
   53    48 S   OH   _O35    70     1.38678   115.96328  -178.57894
   54    53 S   HO   _H14    71     0.97330   101.82162  -102.51065
   55    51 S   CT   _C5_    46     1.54540   109.64886    50.18602
   56    55 S   HC   _H4_    47     1.09413   110.31794  -155.43857
   57    51 S   CT   _C12    61     1.54038   109.95555   -71.35848
   58    57 S   HC   _H15    62     1.09630   109.95616   172.43058
   59    57 S   HC   _H16    63     1.09587   111.49864    51.43539
   60    42 S   CT   _C8_    48     1.46784   111.64359    23.71144
   61    57 S   OS   _O36    64     1.43929   109.19467   -69.60807
   62    60 S   NE   _N9_    54     1.45928   112.35544   121.94523
   63    62 S   H    _H9_    55     1.01214   121.35303   -58.70345
   64    61 S   CO4  _C13    65     1.36161   115.63964   173.53310
   65    64 S   O    _O37    66     1.22506   125.51594     0.77683
   66    62 S   CDX  _C4_    56     1.37024   114.48830   128.12571
   67    64 S   N    _N10    67     1.36851   110.25104  -179.27234
   68    67 S   H    _H17    68     1.01331   120.96370   179.96044
   69    67 S   H    _H18    69     1.01323   121.06065     0.22900
   70    55 S   NE   _N5_    57     1.46688   108.61795    86.63835
   71    70 S   H    _H8_    58     1.01267   121.87721    63.37851
   72    66 S   NI   _N4_    59     1.28952   126.72413   175.79942
   73    72 S   H    _H3_    60     1.02470   108.67555  -179.87489
  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  10   5   4   3
  14   8   2   1   1  12   5   4  14  15   6   2   4   1  11  14
   4   1  15   9   3   1  12   6   8   3   2   6   5   6   3   4
   3   4   2   1   1   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    60    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    55    60    41    43    44    45    46    62  
   38    39    40    42    60    41    43    45  
   36    37  
   37  
    0  
   39    40    42    47    48    55    60    41    43    45    62    49  
   40    42    47    60    41  
   42    47    60    41  
   43    44    45    46    62    63    66    70    42    47    51    55    56    60  
   47    48    51    55    56    60    43    45    62    63    66    70    53    49    50  
   44    45    46    62    55    60  
   45    60  
   46    62    55    60  
   60  
   48    51    52    55    60    62    57    53    54    49    50  
   51    52    55    56    60    70    57    58    59    61    53    54    49    50  
   50    51    53    60  
    0  
   52    55    56    60    62    66    70    71    57    58    59    61    64    53    54  
   55    56    60    70    57    58    59    61    53  
   54    55    57  
    0  
   56    60    62    63    66    70    71    72    57    58    59    61  
   60    62    66    70    71    57  
   58    59    61    64    65    67    60    70  
   59    61    64  
   61    64  
   62    63    66    70    71    72  
   64    65    67    68    69  
   63    66    70    71    72    73  
   66    70    72  
   65    67    68    69  
   67    68    69  
   70    71    72    73  
   68    69  
   69  
    0  
   71    72    73  
   72  
   73  
    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   0.177500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.029000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.2500   0.1700  -0.413000   2.1120   1.8750   0.051222218  -2.220205820
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.7500   0.1050   0.309000   2.1120   1.8750   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.094000   2.1120   1.8750   0.051222218  -2.220205820
   49   3.2800   0.1700  -0.785000   1.9250   1.7000   0.054801302  -2.445846770
   50   0.5000   0.0300   0.426000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.159000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.550700   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.450700   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.159000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.368000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   63   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   66   3.7500   0.1050   0.309000   2.1120   1.8750   0.001000000  -0.126889456
   67   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   68   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   69   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   70   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   71   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.2800   0.1700  -0.785000   1.9250   1.7000   0.054801302  -2.445846770
   73   0.5000   0.0300   0.426000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   382.000  1.448
   42    47   445.000  1.380
   42    60   382.000  1.448
   47    48   445.000  1.380
   47    49   650.000  1.285
   48    51   382.000  1.448
   48    53   315.000  1.396
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    57   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    70   382.000  1.448
   60    41   268.000  1.529
   60    62   382.000  1.448
   41    43   320.000  1.410
   41    45   320.000  1.410
   43    44   553.000  0.945
   45    46   553.000  0.945
   62    63   434.000  1.010
   62    66   445.000  1.380
   66    70   445.000  1.380
   66    72   650.000  1.285
   70    71   434.000  1.010
   72    73   434.000  1.010
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   320.000  1.410
   61    64   214.000  1.327
   64    65   570.000  1.229
   64    67   435.000  1.380
   67    68   434.000  1.010
   67    69   434.000  1.010
   53    54   553.000  0.945
   49    50   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    80.00000  111.61500
   33    41    60    58.35000  112.70000
   33    41    43    50.00000  109.50000
   33    41    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    47    50.00000  119.50000
   38    42    60    50.00000  115.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    47    48    85.00000  116.27000
   42    47    49    75.00000  124.36500
   42    60    55    80.00000  111.61500
   42    60    41    80.00000  111.61500
   42    60    62    90.00000  107.82800
   47    48    51    50.00000  119.50000
   47    48    53    90.00000  119.64000
   47    49    50    55.00000  110.29700
   48    51    52    35.00000  109.50000
   48    51    55    80.00000  111.61500
   48    51    57    80.00000  111.61500
   48    53    54    75.00000  105.39500
   51    55    56    37.50000  110.70000
   51    55    60    58.35000  112.70000
   51    55    70    80.00000  111.61500
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    61    50.00000  109.50000
   55    51    52    37.50000  110.70000
   55    60    41    58.35000  112.70000
   55    60    62    80.00000  111.61500
   55    70    66    50.00000  119.50000
   55    70    71    35.00000  112.50000
   60    42    47    50.00000  119.50000
   60    55    56    37.50000  110.70000
   60    41    43    50.00000  109.50000
   60    41    45    50.00000  109.50000
   60    62    63    35.00000  112.50000
   60    62    66    50.00000  119.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    43    44    55.00000  108.50000
   41    45    46    55.00000  108.50000
   45    41    43   115.00000  113.08500
   62    60    41    80.00000  111.61500
   62    66    70    85.00000  116.27000
   62    66    72    75.00000  124.36500
   66    62    63    35.00000  119.50000
   66    70    71    35.00000  119.50000
   66    72    73    55.00000  110.29700
   70    55    56    35.00000  109.50000
   70    55    60    80.00000  111.61500
   72    66    70    75.00000  124.36500
   57    51    52    37.50000  110.70000
   57    51    55    58.35000  112.70000
   57    61    64    83.00000  116.90000
   59    57    58    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    35.00000  109.50000
   61    64    65    83.00000  123.40000
   61    64    67   110.00000  108.75700
   64    67    68    50.00000  116.34900
   64    67    69    50.00000  116.34900
   67    64    65    85.00000  125.96000
   69    67    68    35.00000  120.00000
   53    48    51   100.00000  106.16000
   49    47    48    75.00000  124.36500
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    60   0.44750  1.0 1.0
   29    33    41    60  -0.17800 -1.0 2.0
   29    33    41    60   0.20200  1.0 3.0
   29    33    41    43   0.56750  1.0 1.0
   29    33    41    43  -0.07550 -1.0 2.0
   29    33    41    43   0.20000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    42    47   0.38950  1.0 1.0
   33    38    42    47  -0.47050 -1.0 2.0
   33    38    42    47   0.83150  1.0 3.0
   33    38   -42    60   0.00000  1.0 1.0
   33    41    43    44  -0.11600  1.0 1.0
   33    41    43    44  -0.09450 -1.0 2.0
   33    41    43    44   0.21250  1.0 3.0
   33    41    45    46  -0.11600  1.0 1.0
   33    41    45    46  -0.09450 -1.0 2.0
   33    41    45    46   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.22950  1.0 3.0
   34    33    41    60   0.15000  1.0 3.0
   34    33    41    43   0.23400  1.0 3.0
   34    33    41    45   0.23400  1.0 3.0
   38    33   -41    60   0.56750  1.0 1.0
   38    33   -41    60  -0.07550 -1.0 2.0
   38    33   -41    60   0.20000  1.0 3.0
   38    33    41    43   0.86500  1.0 1.0
   38    33    41    43  -0.17500 -1.0 2.0
   38    33    41    43   0.20800  1.0 3.0
   38    33    41    45   0.86500  1.0 1.0
   38    33    41    45  -0.17500 -1.0 2.0
   38    33    41    45   0.20800  1.0 3.0
   38    42    47    48   1.17450  1.0 1.0
   38    42    47    48   0.83550 -1.0 2.0
   38    42    47    49  -0.86000  1.0 1.0
   38    42    47    49   0.84650 -1.0 2.0
   38    42    60    55   0.00000  1.0 1.0
   38    42   -60    41   0.00000  1.0 1.0
   38    42    60    62   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    42    60   0.00000  1.0 1.0
   40    38    42    47   0.00000  1.0 1.0
   40    38    42    60   0.00000  1.0 1.0
   42    47    48    51   1.17450  1.0 1.0
   42    47    48    51   0.83550 -1.0 2.0
   42    47    48    53   1.00000 -1.0 2.0
   42    47    49    50  -1.91600  1.0 1.0
   42    47    49    50   8.35800 -1.0 2.0
   42    60   -41    33   1.26750  1.0 1.0
   42    60   -41    33  -0.00950 -1.0 2.0
   42    60   -41    33   0.30600  1.0 3.0
   42    60    41    43   4.07950  1.0 1.0
   42    60    41    43  -0.26450 -1.0 2.0
   42    60    41    43  -0.12150  1.0 3.0
   42    60    41    45   4.07950  1.0 1.0
   42    60    41    45  -0.26450 -1.0 2.0
   42    60    41    45  -0.12150  1.0 3.0
   42    60    62    63  -0.12500  1.0 1.0
   42    60    62    63  -0.12500 -1.0 2.0
   42    60    62    63   0.25000  1.0 3.0
   42    60    62    66  -0.12500  1.0 1.0
   42    60    62    66  -0.12500 -1.0 2.0
   42    60    62    66   0.25000  1.0 3.0
   47    42    60    55   0.38950  1.0 1.0
   47    42    60    55  -0.47050 -1.0 2.0
   47    42    60    55   0.83150  1.0 3.0
   47    42    60    41   0.38950  1.0 1.0
   47    42    60    41  -0.47050 -1.0 2.0
   47    42    60    41   0.83150  1.0 3.0
   47    42    60    62  -0.12500  1.0 1.0
   47    42    60    62  -0.12500 -1.0 2.0
   47    42    60    62   0.25000  1.0 3.0
   47    48    51    52   0.00000  1.0 1.0
   47    48   -51    55   0.38950  1.0 1.0
   47    48   -51    55  -0.47050 -1.0 2.0
   47    48   -51    55   0.83150  1.0 3.0
   47    48    51    57   0.38950  1.0 1.0
   47    48    51    57  -0.47050 -1.0 2.0
   47    48    51    57   0.83150  1.0 3.0
   47    48    53    54  -1.00000 -1.0 2.0
   48    47    49    50  -1.91600  1.0 1.0
   48    47    49    50   8.35800 -1.0 2.0
   48    51    55    56   0.22950  1.0 3.0
   48    51    55    60   1.26750  1.0 1.0
   48    51    55    60  -0.00950 -1.0 2.0
   48    51    55    60   0.30600  1.0 3.0
   48    51    55    70   2.20050  1.0 1.0
   48    51    55    70   0.63450 -1.0 2.0
   48    51    55    70  -0.91300  1.0 3.0
   48    51    57    58   0.22950  1.0 3.0
   48    51    57    59   0.22950  1.0 3.0
   48    51    57    61   2.03850  1.0 1.0
   48    51    57    61  -0.40600 -1.0 2.0
   51    48    53    54  -1.00000 -1.0 2.0
   51    55   -60    42   1.26750  1.0 1.0
   51    55   -60    42  -0.00950 -1.0 2.0
   51    55   -60    42   0.30600  1.0 3.0
   51    55    60    41   0.56750  1.0 1.0
   51    55    60    41  -0.07550 -1.0 2.0
   51    55    60    41   0.20000  1.0 3.0
   51    55    60    62   1.26750  1.0 1.0
   51    55    60    62  -0.00950 -1.0 2.0
   51    55    60    62   0.30600  1.0 3.0
   51    55    70    66   0.38950  1.0 1.0
   51    55    70    66  -0.47050 -1.0 2.0
   51    55    70    66   0.83150  1.0 3.0
   51    55    70    71   0.00000  1.0 1.0
   51    57    61    64  -0.25900  1.0 1.0
   51    57    61    64  -0.47000 -1.0 2.0
   51    57    61    64   0.11750  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    60   0.15000  1.0 3.0
   52    51    55    70   0.22950  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    61   0.23400  1.0 3.0
   55    51    57    58   0.15000  1.0 3.0
   55    51    57    59   0.15000  1.0 3.0
   55    51    57    61   0.62750  1.0 1.0
   55    51    57    61  -0.30950 -1.0 2.0
   55    51    57    61   0.27300  1.0 3.0
   55    60    41    33   0.56750  1.0 1.0
   55    60    41    33  -0.07550 -1.0 2.0
   55    60    41    33   0.20000  1.0 3.0
   55    60    41    43   0.86500  1.0 1.0
   55    60    41    43  -0.17500 -1.0 2.0
   55    60    41    43   0.20800  1.0 3.0
   55    60    41    45   0.86500  1.0 1.0
   55    60    41    45  -0.17500 -1.0 2.0
   55    60    41    45   0.20800  1.0 3.0
   55    60    62    63   0.00000  1.0 1.0
   55    60   -62    66   0.38950  1.0 1.0
   55    60   -62    66  -0.47050 -1.0 2.0
   55    60   -62    66   0.83150  1.0 3.0
   56    55    60    42   0.22950  1.0 3.0
   56    55    60    41   0.15000  1.0 3.0
   56    55    60    62   0.22950  1.0 3.0
   56    55    70    66   0.00000  1.0 1.0
   56    55    70    71   0.00000  1.0 1.0
   60    42   -47    48   1.17450  1.0 1.0
   60    42   -47    48   0.83550 -1.0 2.0
   60    42    47    49  -0.86000  1.0 1.0
   60    42    47    49   0.84650 -1.0 2.0
   60    55   -70    66   0.38950  1.0 1.0
   60    55   -70    66  -0.47050 -1.0 2.0
   60    55   -70    66   0.83150  1.0 3.0
   60    55    70    71   0.00000  1.0 1.0
   60    41    43    44  -0.11600  1.0 1.0
   60    41    43    44  -0.09450 -1.0 2.0
   60    41    43    44   0.21250  1.0 3.0
   60    41    45    46  -0.11600  1.0 1.0
   60    41    45    46  -0.09450 -1.0 2.0
   60    41    45    46   0.21250  1.0 3.0
   60    62   -66    70   1.17450  1.0 1.0
   60    62   -66    70   0.83550 -1.0 2.0
   60    62    66    72  -0.86000  1.0 1.0
   60    62    66    72   0.84650 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42   1.26750  1.0 1.0
   41    33   -38    42  -0.00950 -1.0 2.0
   41    33   -38    42   0.30600  1.0 3.0
   41    60    62    63   0.00000  1.0 1.0
   41    60    62    66   0.38950  1.0 1.0
   41    60    62    66  -0.47050 -1.0 2.0
   41    60    62    66   0.83150  1.0 3.0
   43    41    45    46   0.13450  1.0 1.0
   43    41    45    46  -0.58300 -1.0 2.0
   43    41    45    46   0.14300  1.0 3.0
   45    41    43    44   0.13450  1.0 1.0
   45    41    43    44  -0.58300 -1.0 2.0
   45    41    43    44   0.14300  1.0 3.0
   62    60    41    33   1.26750  1.0 1.0
   62    60    41    33  -0.00950 -1.0 2.0
   62    60    41    33   0.30600  1.0 3.0
   62    60    41    43   4.07950  1.0 1.0
   62    60    41    43  -0.26450 -1.0 2.0
   62    60    41    43  -0.12150  1.0 3.0
   62    60    41    45   4.07950  1.0 1.0
   62    60    41    45  -0.26450 -1.0 2.0
   62    60    41    45  -0.12150  1.0 3.0
   62    66   -70    55   1.17450  1.0 1.0
   62    66   -70    55   0.83550 -1.0 2.0
   62    66    70    71   1.00000 -1.0 2.0
   62    66    72    73  -1.91600  1.0 1.0
   62    66    72    73   8.35800 -1.0 2.0
   63    62    66    70   1.00000 -1.0 2.0
   63    62    66    72   1.50000 -1.0 2.0
   70    55    60    42   2.20050  1.0 1.0
   70    55    60    42   0.63450 -1.0 2.0
   70    55    60    42  -0.91300  1.0 3.0
   70    55    60    41   1.26750  1.0 1.0
   70    55    60    41  -0.00950 -1.0 2.0
   70    55    60    41   0.30600  1.0 3.0
   70    55   -60    62   2.20050  1.0 1.0
   70    55   -60    62   0.63450 -1.0 2.0
   70    55   -60    62  -0.91300  1.0 3.0
   70    66    72    73  -1.91600  1.0 1.0
   70    66    72    73   8.35800 -1.0 2.0
   72    66    70    55  -0.86000  1.0 1.0
   72    66    70    55   0.84650 -1.0 2.0
   72    66    70    71   1.50000 -1.0 2.0
   57    51    55    56   0.15000  1.0 3.0
   57    51    55    60   0.56750  1.0 1.0
   57    51    55    60  -0.07550 -1.0 2.0
   57    51    55    60   0.20000  1.0 3.0
   57    51    55    70   1.26750  1.0 1.0
   57    51    55    70  -0.00950 -1.0 2.0
   57    51    55    70   0.30600  1.0 3.0
   57    61    64    65   3.00000 -1.0 2.0
   57    61    64    67  -0.80800  1.0 1.0
   57    61    64    67   2.06850 -1.0 2.0
   58    57    61    64   0.08050  1.0 3.0
   59    57    61    64   0.08050  1.0 3.0
   61    64    67    68   2.56700 -1.0 2.0
   61    64    67    69   2.56700 -1.0 2.0
   65    64    67    68   2.45000 -1.0 2.0
   65    64    67    69   2.45000 -1.0 2.0
   53    48    51    52   0.00000  1.0 1.0
   53    48    51    55   0.61050  1.0 1.0
   53    48    51    55  -0.39800 -1.0 2.0
   53    48    51    55   0.77800  1.0 3.0
   53    48    51    57   0.61050  1.0 1.0
   53    48    51    57  -0.39800 -1.0 2.0
   53    48    51    57   0.77800  1.0 3.0
   49    47    48    51  -0.86000  1.0 1.0
   49    47    48    51   0.84650 -1.0 2.0
   49    47    48    53   1.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   60    47    42    38   1.00000 -1.0 2.0
   42    48    47    49  10.50000 -1.0 2.0
   53    47    48    51   1.00000 -1.0 2.0
   63    66    62    60   1.00000 -1.0 2.0
   62    70    66    72  10.50000 -1.0 2.0
   71    66    70    55   1.00000 -1.0 2.0
   61    67    64    65  10.50000 -1.0 2.0
   69    64    67    68   1.00000 -1.0 2.0
END
