* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    226     420
    1     0 S   NP   _N1_     1    29.13363    94.04171   -23.44495
    2     1 S   H    _HN1     2     1.02788   102.98672  -105.83219
    3     1 S   H    _H1_     3     1.02947    86.66683     2.28122
    4     1 S   H    _H2_     4     1.02830    24.36672   149.40406
    5     1 S   CT   _CA1     5     1.50125   132.19694   117.03867
    6     5 S   HC   _HA1     6     1.09572   105.18014    72.82301
    7     5 S   CO3  _C1_     7     1.53810   112.51966   -47.33037
    8     7 S   O2Z  _O11     8     1.26364   115.02110   -40.07073
    9     7 S   O2Z  _O12     9     1.26236   114.96576   139.05916
   10     5 S   CT   _CB1    10     1.53068   107.39690  -169.20470
   11    10 S   HC   HB11    11     1.09833   109.39835   -49.54555
   12    10 S   HC   HB12    12     1.09801   110.39312    66.98008
   13    10 S   CT   _CG1    13     1.52992   112.64434  -170.48477
   14    13 S   HC   HG11    14     1.09581   110.60934   -64.80401
   15    13 S   HC   HG12    15     1.09658   109.84662    54.48958
   16    13 S   C    _CD1    16     1.51738   112.24067   175.02315
   17    16 S   O    _OE1    17     1.22740   123.25803     5.69113
   18    16 S   N    _N2_    18     1.38678   111.71453  -174.65133
   19    18 S   H    _HN2    19     1.01568   119.01587     2.82965
   20    18 S   CT1  _CA2    20     1.46116   123.35265   179.67195
   21    20 S   HC   _HA2    21     1.09579   109.17761     6.87700
   22    20 S   C    _C2_    22     1.53618   109.23652  -108.38913
   23    22 S   O    _O2_    23     1.23090   122.13418  -149.72911
   24    20 S   CT   _CB2    32     1.53407   111.72895   129.08362
   25    24 S   HC   HB21    33     1.09658   109.59845    64.69195
   26    24 S   HC   HB22    34     1.09573   110.81835  -178.06427
   27    22 S   N    _N3_    24     1.38282   113.92963    37.75033
   28    27 S   H    _HN3    25     1.01556   119.62267    -3.20992
   29    24 S   S    _SG2    35     1.82806   114.79215   -55.03528
   30    27 S   CT   _CA3    26     1.45287   123.22574   177.10782
   31    30 S   HC   HA31    27     1.09549   107.51888   -64.43999
   32    30 S   HC   HA32    28     1.09556   107.98103    52.00388
   33    29 S   CT   _C18    36     1.84051    99.91477   -65.69878
   34    33 S   HC   _H3_    37     1.09904   106.90669   -53.64387
   35    33 S   HC   _H4_    38     1.09527   108.72578    60.23709
   36    30 S   CO3  _C3_    29     1.52961   114.07087   174.00312
   37    36 S   O2Z  _O31    30     1.26376   116.06723    -0.43431
   38    36 S   O2Z  _O32    31     1.26425   114.41581   179.61999
   39    33 S   CT   _C15    39     1.54569   114.93362  -176.75961
   40    39 S   OM   _O16    40     1.32563   109.44942    67.31816
   41    39 S   CO4  _C7_    41     1.52105   110.04570  -177.53812
   42    41 S   O    _O18    42     1.22364   126.56387   -33.31642
   43    41 S   OS   _O19    43     1.36904   110.18482   146.69249
   44    43 S   CT   _C13    44     1.44043   110.61010     1.25242
   45    44 S   HC   _H30    45     1.09960   105.94409    91.59182
   46    39 S   CT   _C11    46     1.55732   118.80617   -61.60645
   47    46 S   HC   _H28    47     1.09984   110.62027    92.12575
   48    44 S   CT   _C14    64     1.54179   110.27636  -151.63463
   49    46 S   CT   _C8_    48     1.54991   114.79627   -29.18330
   50    49 S   HC   _H23    49     1.09087   109.36968    42.37787
   51    49 S   HC   _H24    50     1.09163   112.10043   -73.54198
   52    48 S   CT   _C17    65     1.54241   113.48070    25.14973
   53    52 S   HC   _H34    66     1.09007   112.98683    53.09831
   54    52 S   HC   _H35    67     1.09782   111.06546   -66.32877
   55    52 S   HC   _H36    68     1.09559   112.03752   175.75951
   56    49 S   CT   _C9_    51     1.53490   114.17924   158.29232
   57    56 S   HC   _H25    52     1.09746   108.20310  -162.91859
   58    56 S   HC   _H26    53     1.09857   108.07866   -49.69754
   59    56 S   CT   _C12    54     1.53714   117.91775    73.46363
   60    59 S   HC   _H29    55     1.10133   105.23126  -163.38483
   61    59 S   CT   _C10    56     1.53755   112.07719   -48.94881
   62    61 S   HC   _H27    57     1.10287   105.41035   -53.39695
   63    59 S   CT   _C16    69     1.53005   111.35866    84.33662
   64    63 S   HC   _H31    70     1.09148   112.77227   -49.69404
   65    63 S   HC   _H32    71     1.09391   111.81829  -173.10016
   66    63 S   HC   _H33    72     1.09621   109.76605    68.40836
   67    61 S   CM   _C5_    58     1.50618   115.21246  -167.01340
   68    67 S   HC   _H22    59     1.08218   122.87386    33.56600
   69    67 S   CM   _C4_    60     1.33418   113.79691  -153.00592
   70    69 S   HC   _H21    61     1.07499   128.98997  -175.02894
   71    69 S   CO4  _C6_    62     1.47374   105.21947     4.84060
   72    71 S   O    _O17    63     1.22224   122.42765  -169.84598
  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
  11   5   4   2   1   1  13   7   8   3   9  19   7  12   5  17
   9   5   4  10   4   3   2  11   5   4  11   7  11   5   4   2
   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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    49  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    49    50    51    56    48  
   41    42    43    44    46    47    49  
   42    43    44    45    46    47    49    48  
   43    44    46  
   44    45    46    47    49    61    71    48    52  
   45    46    47    49    50    51    56    59    61    62    67    69    71    72    48    52    53    54    55  
   46    47    49    61    71    48    52  
   47    49    50    51    56    57    58    59    61    71    48    52  
   49    50    51    56    48  
   52    53    54    55    63    49    56    59    60    61    62    67    68    69    70    71    72  
   50    51    56    57    58    59    60    61    63  
   51    56    57    58    59  
   56    57    58    59  
   53    54    55    59    61    62    67    69    71    72  
   54    55    61    71  
   55    61    71  
   61    71  
   57    58    59    60    61    62    67    63    64    65    66  
   58    59    60    61    63  
   59    60    61    63  
   60    61    62    67    68    69    71    63    64    65    66  
   61    62    67    63    64    65    66  
   62    67    68    69    70    71    72    63    64    65    66  
   67    68    69    71    63  
   64    65    66    67  
   65    66  
   66  
    0  
   68    69    70    71    72  
   69    70    71  
   70    71    72  
   71    72  
   72  
    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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   570.000  1.307
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   268.000  1.529
   61    62   340.000  1.090
   61    67   317.000  1.510
   61    48   268.000  1.529
   67    68   340.000  1.080
   67    69   549.000  1.340
   69    70   340.000  1.080
   69    71   320.000  1.462
   71    72   570.000  1.229
   71    48   317.000  1.522
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    50.00000  109.50000
   33    39    41    63.00000  111.10000
   33    39    46    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    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    49    58.35000  112.70000
   41    39    40    90.00000  108.74100
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    48    61    58.35000  112.70000
   44    48    71    63.00000  111.10000
   44    48    52    58.35000  112.70000
   46    39    40    50.00000  109.50000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    56    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    63    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    67    70.00000  112.02700
   59    61    48    58.35000  112.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    37.50000  110.70000
   61    59    60    37.50000  110.70000
   61    67    68    35.00000  117.00000
   61    67    69    70.00000  124.00000
   61    48    71    63.00000  111.10000
   61    48    52    58.35000  112.70000
   67    61    62    35.00000  109.50000
   67    69    70    35.00000  120.00000
   67    69    71    65.00000  118.96000
   69    67    68    35.00000  120.00000
   69    71    72    80.00000  123.72100
   69    71    48    65.00000  118.62400
   71    69    70    40.00000  117.72500
   71    48    52    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    61    62    37.50000  110.70000
   48    61    67    70.00000  112.02700
   48    71    72    80.00000  120.40000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    55    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    49   0.56750  1.0 1.0
   33    39    46    49  -0.07550 -1.0 2.0
   33    39    46    49   0.20000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    49    50   0.15000  1.0 3.0
   39    46    49    51   0.15000  1.0 3.0
   39    46    49    56   0.56750  1.0 1.0
   39    46    49    56  -0.07550 -1.0 2.0
   39    46    49    56   0.20000  1.0 3.0
   40    39    41    42   0.30150 -1.0 2.0
   40    39    41    43   0.40000  1.0 3.0
   40    39    46    44   0.62750  1.0 1.0
   40    39    46    44  -0.30950 -1.0 2.0
   40    39    46    44   0.27300  1.0 3.0
   40    39    46    47   0.23400  1.0 3.0
   40    39    46    49   0.62750  1.0 1.0
   40    39    46    49  -0.30950 -1.0 2.0
   40    39    46    49   0.27300  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    49  -0.95700  1.0 1.0
   41    39    46    49  -0.18200 -1.0 2.0
   41    39    46    49   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    49   0.62750  1.0 1.0
   43    44    46    49  -0.30950 -1.0 2.0
   43    44    46    49   0.27300  1.0 3.0
   43    44    48    61   0.62750  1.0 1.0
   43    44    48    61  -0.30950 -1.0 2.0
   43    44    48    61   0.27300  1.0 3.0
   43    44    48    71  -0.09450  1.0 1.0
   43    44    48    71  -1.12950 -1.0 2.0
   43    44    48    71   0.54000  1.0 3.0
   43    44    48    52   0.62750  1.0 1.0
   43    44    48    52  -0.30950 -1.0 2.0
   43    44    48    52   0.27300  1.0 3.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    51   0.15000  1.0 3.0
   44    46    49    56   0.56750  1.0 1.0
   44    46    49    56  -0.07550 -1.0 2.0
   44    46    49    56   0.20000  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    54   0.15000  1.0 3.0
   44    48    52    55   0.15000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    48    61   0.15000  1.0 3.0
   45    44    48    71  -0.11250  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    61   0.56750  1.0 1.0
   46    44    48    61  -0.07550 -1.0 2.0
   46    44    48    61   0.20000  1.0 3.0
   46    44    48    71  -0.95700  1.0 1.0
   46    44    48    71  -0.18200 -1.0 2.0
   46    44    48    71   0.29450  1.0 3.0
   46    44    48    52   0.56750  1.0 1.0
   46    44    48    52  -0.07550 -1.0 2.0
   46    44    48    52   0.20000  1.0 3.0
   46    49    56    57   0.15000  1.0 3.0
   46    49    56    58   0.15000  1.0 3.0
   46    49    56    59   0.56750  1.0 1.0
   46    49    56    59  -0.07550 -1.0 2.0
   46    49    56    59   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    56   0.15000  1.0 3.0
   49    56    59    60   0.15000  1.0 3.0
   49    56    59    61   0.56750  1.0 1.0
   49    56    59    61  -0.07550 -1.0 2.0
   49    56    59    61   0.20000  1.0 3.0
   49    56    59    63   0.56750  1.0 1.0
   49    56    59    63  -0.07550 -1.0 2.0
   49    56    59    63   0.20000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    59   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   51    49    56    59   0.15000  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    67   0.34400  1.0 1.0
   56    59    61    67   0.09450 -1.0 2.0
   56    59    61    67   0.11100  1.0 3.0
   56    59    61    48   0.56750  1.0 1.0
   56    59    61    48  -0.07550 -1.0 2.0
   56    59    61    48   0.20000  1.0 3.0
   56    59    63    64   0.15000  1.0 3.0
   56    59    63    65   0.15000  1.0 3.0
   56    59    63    66   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    63   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    63   0.15000  1.0 3.0
   59    61    67    68   0.00000  1.0 1.0
   59    61    67    69   0.09850  1.0 1.0
   59    61    67    69   0.15250 -1.0 2.0
   59    61    67    69  -0.50650  1.0 3.0
   59    61    48    44   0.56750  1.0 1.0
   59    61    48    44  -0.07550 -1.0 2.0
   59    61    48    44   0.20000  1.0 3.0
   59    61    48    71  -0.95700  1.0 1.0
   59    61    48    71  -0.18200 -1.0 2.0
   59    61    48    71   0.29450  1.0 3.0
   59    61    48    52   0.56750  1.0 1.0
   59    61    48    52  -0.07550 -1.0 2.0
   59    61    48    52   0.20000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    67   0.15000  1.0 3.0
   60    59    61    48   0.15000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    66   0.15000  1.0 3.0
   61    67    69    70   7.00000 -1.0 2.0
   61    67   -69    71   7.00000 -1.0 2.0
   61    48    52    53   0.15000  1.0 3.0
   61    48    52    54   0.15000  1.0 3.0
   61    48    52    55   0.15000  1.0 3.0
   62    61    67    68   0.33100  1.0 3.0
   62    61    67    69   0.00000  1.0 1.0
   62    61    48    44   0.15000  1.0 3.0
   62    61    48    71  -0.11250  1.0 3.0
   62    61    48    52   0.15000  1.0 3.0
   67    61    48    44   0.34400  1.0 1.0
   67    61    48    44   0.09450 -1.0 2.0
   67    61    48    44   0.11100  1.0 3.0
   67    61   -48    71  -0.98800  1.0 1.0
   67    61   -48    71   0.48800 -1.0 2.0
   67    61   -48    71   0.76800  1.0 3.0
   67    61    48    52   0.34400  1.0 1.0
   67    61    48    52   0.09450 -1.0 2.0
   67    61    48    52   0.11100  1.0 3.0
   67    69    71    72   1.00000 -1.0 2.0
   67    69   -71    48  -0.33500  1.0 1.0
   67    69   -71    48   1.06600 -1.0 2.0
   67    69   -71    48  -0.14000  1.0 3.0
   68    67    69    70   7.00000 -1.0 2.0
   68    67    69    71   7.00000 -1.0 2.0
   69    71    48    44   0.65300  1.0 1.0
   69    71    48    44  -0.03850 -1.0 2.0
   69    71    48    44   0.33900  1.0 3.0
   69    71   -48    61   0.65300  1.0 1.0
   69    71   -48    61  -0.03850 -1.0 2.0
   69    71   -48    61   0.33900  1.0 3.0
   69    71    48    52   0.65300  1.0 1.0
   69    71    48    52  -0.03850 -1.0 2.0
   69    71    48    52   0.33900  1.0 3.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    48   0.04550  1.0 1.0
   70    69    71    48   0.83000 -1.0 2.0
   70    69    71    48  -0.04000  1.0 3.0
   71    48    52    53  -0.11250  1.0 3.0
   71    48    52    54  -0.11250  1.0 3.0
   71    48    52    55  -0.11250  1.0 3.0
   72    71    48    44   0.30150 -1.0 2.0
   72    71    48    61   0.30150 -1.0 2.0
   72    71    48    52   0.30150 -1.0 2.0
   48    44    46    39   0.56750  1.0 1.0
   48    44    46    39  -0.07550 -1.0 2.0
   48    44    46    39   0.20000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    49   0.56750  1.0 1.0
   48    44    46    49  -0.07550 -1.0 2.0
   48    44    46    49   0.20000  1.0 3.0
   48    61    67    68   0.00000  1.0 1.0
   48    61   -67    69   0.09850  1.0 1.0
   48    61   -67    69   0.15250 -1.0 2.0
   48    61   -67    69  -0.50650  1.0 3.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    67   0.34400  1.0 1.0
   63    59    61    67   0.09450 -1.0 2.0
   63    59    61    67   0.11100  1.0 3.0
   63    59    61    48   0.56750  1.0 1.0
   63    59    61    48  -0.07550 -1.0 2.0
   63    59    61    48   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   61    68    67    69   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   69    48    71    72  10.50000 -1.0 2.0
END
