* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    133    210     395
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02085   100.49407   -47.88557
    3     1 S   H    _H1_     3     1.02011    77.08180    59.08609
    4     1 S   H    _H2_     4     1.02112    37.91271  -154.85023
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C6_    36     1.83841    97.59197  -158.15512
   34    33 S   HC   _H4_    37     1.09958   104.91115    42.31093
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C5_    38     1.54494   113.00757   160.00745
   39    38 S   HC   _H3_    39     1.09850   108.99875  -172.63348
   40    38 S   OS   _O33    40     1.42974   110.47531    68.91563
   41    38 S   CT   _C4_    65     1.52555   114.72154   -53.26313
   42    41 S   HC   _H7_    66     1.09040   109.91430    79.97915
   43    41 S   HC   _H8_    67     1.09060   109.98486   -40.92116
   44    40 S   CO   _C9_    41     1.43259   113.59413    63.81766
   45    44 S   HC   _H6_    42     1.09683   108.08746    62.29895
   46    41 S   OS   _O37    68     1.41552   108.54830  -160.50305
   47    44 S   CT   _C8_    43     1.54705   111.70171   -58.97539
   48    47 S   HC   _H5_    44     1.09946   108.28265   168.75038
   49    46 S   P1   _P1_    69     1.62751   118.36765   179.98022
   50    49 S   O2Z  _O38    70     1.50606   111.93169   173.68518
   51    49 S   HP   _H16    71     1.41202   103.64249    40.04802
   52    33 S   CT   _C7_    45     1.54657   112.20296   -75.79347
   53    47 S   NE   _N8_    50     1.46084   109.03501   -75.97888
   54    53 S   H    _H13    51     1.01381   119.07035   159.64634
   55    49 S   OS   _O39    72     1.62565   101.52048   -67.23524
   56    55 S   HO   _H17    73     0.98149   118.60114  -179.34928
   57    52 S   OH   _O35    46     1.42560   112.12557    47.73691
   58    57 S   HO   _H14    47     0.97025   106.62312   173.29302
   59    52 S   OH   _O36    48     1.43871   106.00631   164.60874
   60    59 S   HO   _H15    49     0.96626   105.83028  -178.78485
   61    53 S   CM   _C11    52     1.37832   121.95782   -34.98205
   62    61 S   CM   _C10    53     1.35511   122.74493    10.78368
   63    62 S   NI   _N6_    54     1.38286   122.59734  -177.97629
   64    44 S   NE   _N4_    63     1.45889   109.02998   179.92338
   65    64 S   H    _H9_    64     1.01406   118.45128   -78.70468
   66    63 S   CDX  _C13    55     1.30319   118.87985    -1.09932
   67    66 S   N    _N5_    56     1.38463   121.94374     0.09891
   68    67 S   H    _H10    57     1.01525   118.22079  -179.57942
   69    66 S   NE   _N7_    60     1.37011   122.38828  -179.82306
   70    69 S   H    _H11    61     0.99501   118.31094    -0.00000
   71    69 S   H    _H12    62     0.99312   118.35802   179.95154
   72    61 S   C    _C12    58     1.48356   117.69300  -168.67497
   73    72 S   O    _O34    59     1.22716   122.15327    -1.25803
  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
  17   8   2   1   1  14   7  13   9   3   2  13   7   5  13   7
   4   3   2   8  10   3   1   1   3   1   1   1   9   8   9   3
   1   7   6   3   3   1   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    52    57    59    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    47    48    52    57    58    59    60    53    41    42    43    46  
   38    39    40    47    52    57    59    41  
   36    37  
   37  
    0  
   39    40    44    45    47    52    57    59    64    41    42    43    46    49  
   40    44    52    41    42    43    46  
   44    45    47    48    52    53    62    64    65    41    42    43    46  
   42    43    46    49    50    51    55    44    52  
   43    46    49  
   46    49  
   45    47    48    52    57    59    53    54    61    62    63    64    65  
   47    48    52    53    62    64    65  
   49    50    51    55    56  
   48    52    57    58    59    60    53    54    61    62    72    64    65  
   52    57    59    53    54    61    64  
   50    51    55    56  
   51    55    56  
   55    56  
   57    58    59    60    53    54    61    64  
   54    61    62    63    67    72    73    64    57    59  
   61    62    72  
   56  
    0  
   58    59    60  
   59  
   60  
    0  
   62    63    66    67    68    72    73    64    65  
   63    66    67    72    73    69    64    65  
   66    67    68    72    69    70    71    64    65  
   65    66    72  
    0  
   67    68    72    73    69    70    71  
   68    72    73    69    70    71  
   72    73    69  
   70    71    72  
   71  
    0  
   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   0.107500   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7400   0.2000   1.099000   2.1070   1.8700   0.005000000   0.000000000
   50   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   51   2.5000   0.0300  -0.056500   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.530000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   55   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -0.038700   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   63   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   64   3.2500   0.1700  -0.494200   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   67   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   68   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   69   3.2500   0.1700  -0.785000   2.1120   1.8750   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
   72   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
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    52   268.000  1.529
   38    39   340.000  1.090
   38    40   320.000  1.410
   38    41   268.000  1.529
   40    44   320.000  1.380
   44    45   340.000  1.090
   44    47   250.000  1.527
   44    64   320.000  1.442
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    53   382.000  1.448
   52    57   320.000  1.410
   52    59   320.000  1.410
   57    58   553.000  0.945
   59    60   553.000  0.945
   53    54   434.000  1.010
   53    61   425.000  1.378
   61    62   549.000  1.340
   61    72   410.000  1.444
   62    63   405.000  1.380
   62    64   425.000  1.378
   63    66   650.000  1.285
   66    67   400.000  1.380
   66    69   445.000  1.380
   67    68   434.000  1.010
   67    72   490.000  1.335
   72    73   570.000  1.229
   69    70   434.000  1.010
   69    71   434.000  1.010
   64    65   434.000  1.010
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    49   405.000  1.623
   49    50   675.000  1.490
   49    51   225.000  1.411
   49    55   405.000  1.623
   55    56   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    50.00000  109.50000
   33    38    41    58.35000  112.70000
   33    52    47    58.35000  112.70000
   33    52    57    50.00000  109.50000
   33    52    59    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    44    60.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    46    50.00000  109.50000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  109.50000
   40    44    47    90.00000  108.56700
   40    44    64    95.00000  112.71300
   44    47    48    45.00000  108.72000
   44    47    52    75.00000  109.43000
   44    47    53    80.00000  111.61500
   44    64    62    50.00000  121.00000
   44    64    65    50.00000  113.12000
   47    44    45    45.00000  112.01100
   47    52    57    50.00000  109.50000
   47    52    59    50.00000  109.50000
   47    53    54    35.00000  112.50000
   47    53    61    50.00000  121.00000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    57    58    55.00000  108.50000
   52    59    60    55.00000  108.50000
   59    52    57   115.00000  113.08500
   53    47    48    35.00000  109.50000
   53    47    52    80.00000  111.61500
   53    61    62    70.00000  124.03900
   53    61    72    70.00000  117.92000
   61    53    54    35.00000  114.50000
   61    62    63    70.00000  120.83400
   61    62    64    70.00000  124.03900
   61    72    67    80.00000  111.56200
   61    72    73    80.00000  125.30000
   62    63    66    70.00000  116.49400
   62    64    65    35.00000  114.50000
   63    66    67    80.00000  119.04400
   63    66    69    75.00000  124.36500
   66    67    68    45.00000  120.05200
   66    67    72    70.00000  120.51600
   66    69    70    35.00000  119.50000
   66    69    71    35.00000  119.50000
   67    72    73    80.00000  122.90000
   72    61    62    70.00000  118.70000
   72    67    68    35.00000  119.80000
   69    66    67    85.00000  111.44000
   71    69    70    35.00000  109.00000
   64    44    45    50.00000  108.16000
   64    44    47    85.00000  109.98000
   64    62    63    85.00000  113.56000
   41    38    39    37.50000  110.70000
   41    38    40    50.00000  109.50000
   41    46    49    75.00000  119.24600
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    49    50   100.00000  115.86100
   46    49    51    60.00000  100.09000
   46    49    55   120.00000  102.38000
   49    55    56    50.00000  113.86100
   51    49    50    50.00000  114.77800
   55    49    50   100.00000  115.86100
   55    49    51    60.00000  100.09000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    57   0.56750  1.0 1.0
   29    33    52    57  -0.07550 -1.0 2.0
   29    33    52    57   0.20000  1.0 3.0
   29    33    52    59   0.56750  1.0 1.0
   29    33    52    59  -0.07550 -1.0 2.0
   29    33    52    59   0.20000  1.0 3.0
   33    38    40    44   0.06250  1.0 1.0
   33    38    40    44  -0.01100 -1.0 2.0
   33    38    40    44   0.28050  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    46   0.62750  1.0 1.0
   33    38    41    46  -0.30950 -1.0 2.0
   33    38    41    46   0.27300  1.0 3.0
   33    52    57    58  -0.11600  1.0 1.0
   33    52    57    58  -0.09450 -1.0 2.0
   33    52    57    58   0.21250  1.0 3.0
   33    52    59    60  -0.11600  1.0 1.0
   33    52    59    60  -0.09450 -1.0 2.0
   33    52    59    60   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    52    47   0.15000  1.0 3.0
   34    33    52    57   0.23400  1.0 3.0
   34    33    52    59   0.23400  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    57   0.86500  1.0 1.0
   38    33    52    57  -0.17500 -1.0 2.0
   38    33    52    57   0.20800  1.0 3.0
   38    33    52    59   0.86500  1.0 1.0
   38    33    52    59  -0.17500 -1.0 2.0
   38    33    52    59   0.20800  1.0 3.0
   38    40    44    45   0.37050  1.0 3.0
   38    40   -44    47   0.06250  1.0 1.0
   38    40   -44    47  -0.01100 -1.0 2.0
   38    40   -44    47   0.28050  1.0 3.0
   38    40    44    64  -0.25000  1.0 1.0
   38    40    44    64  -0.75000 -1.0 2.0
   38    40    44    64   0.50000  1.0 3.0
   38    41    46    49  -2.65550  1.0 1.0
   38    41    46    49  -0.22350 -1.0 2.0
   38    41    46    49   0.24150  1.0 3.0
   39    38    40    44   0.37050  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.23400  1.0 3.0
   40    38    41    42   0.23400  1.0 3.0
   40    38    41    43   0.23400  1.0 3.0
   40    38    41    46   1.11900  1.0 1.0
   40    38    41    46  -1.16350 -1.0 2.0
   40    38    41    46  -0.34150  1.0 3.0
   40    44    47    48   0.23400  1.0 3.0
   40    44    47    52   0.62750  1.0 1.0
   40    44    47    52  -0.30950 -1.0 2.0
   40    44    47    52   0.27300  1.0 3.0
   40    44    47    53   2.03850  1.0 1.0
   40    44    47    53  -0.40600 -1.0 2.0
   40    44    64    62   0.75000  1.0 1.0
   40    44    64    62  -0.75000 -1.0 2.0
   40    44    64    65  -1.49000  1.0 1.0
   40    44    64    65  -2.58450 -1.0 2.0
   44    47   -52    33   3.97050  1.0 1.0
   44    47    52    57   0.86500  1.0 1.0
   44    47    52    57  -0.17500 -1.0 2.0
   44    47    52    57   0.20800  1.0 3.0
   44    47    52    59   0.86500  1.0 1.0
   44    47    52    59  -0.17500 -1.0 2.0
   44    47    52    59   0.20800  1.0 3.0
   44    47    53    54   0.00000  1.0 1.0
   44    47    53    61   0.25450  1.0 1.0
   44    47    53    61  -0.61700 -1.0 2.0
   44    47    53    61  -0.23550  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    52   0.15000  1.0 3.0
   45    44    47    53   0.22950  1.0 3.0
   45    44    64    62   0.00000  1.0 1.0
   45    44    64    65   0.00000  1.0 1.0
   47    44    64    62   0.25450  1.0 1.0
   47    44    64    62  -0.61700 -1.0 2.0
   47    44    64    62  -0.23550  1.0 3.0
   47    44    64    65   0.00000  1.0 1.0
   47    52    57    58  -0.11600  1.0 1.0
   47    52    57    58  -0.09450 -1.0 2.0
   47    52    57    58   0.21250  1.0 3.0
   47    52    59    60  -0.11600  1.0 1.0
   47    52    59    60  -0.09450 -1.0 2.0
   47    52    59    60   0.21250  1.0 3.0
   47    53   -61    62  -0.54700  1.0 1.0
   47    53   -61    62   1.23000 -1.0 2.0
   47    53    61    72   1.00000 -1.0 2.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    57   0.23400  1.0 3.0
   48    47    52    59   0.23400  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    61   0.00000  1.0 1.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.62750  1.0 1.0
   52    33   -38    40  -0.30950 -1.0 2.0
   52    33   -38    40   0.27300  1.0 3.0
   52    33    38    41   0.56750  1.0 1.0
   52    33    38    41  -0.07550 -1.0 2.0
   52    33    38    41   0.20000  1.0 3.0
   52    47    53    54   0.00000  1.0 1.0
   52    47    53    61   0.25450  1.0 1.0
   52    47    53    61  -0.61700 -1.0 2.0
   52    47    53    61  -0.23550  1.0 3.0
   57    52    59    60   0.13450  1.0 1.0
   57    52    59    60  -0.58300 -1.0 2.0
   57    52    59    60   0.14300  1.0 3.0
   59    52    57    58   0.13450  1.0 1.0
   59    52    57    58  -0.58300 -1.0 2.0
   59    52    57    58   0.14300  1.0 3.0
   53    47    52    33   1.26750  1.0 1.0
   53    47    52    33  -0.00950 -1.0 2.0
   53    47    52    33   0.30600  1.0 3.0
   53    47    52    57   4.07950  1.0 1.0
   53    47    52    57  -0.26450 -1.0 2.0
   53    47    52    57  -0.12150  1.0 3.0
   53    47    52    59   4.07950  1.0 1.0
   53    47    52    59  -0.26450 -1.0 2.0
   53    47    52    59  -0.12150  1.0 3.0
   53    61    62    63   7.00000 -1.0 2.0
   53    61    62    64   7.00000 -1.0 2.0
   53    61    72    67   1.50000 -1.0 2.0
   53    61    72    73  -0.52200  1.0 1.0
   53    61    72    73   0.82950 -1.0 2.0
   54    53    61    62   1.00000 -1.0 2.0
   54    53    61    72   1.00000 -1.0 2.0
   61    62    63    66   1.00000 -1.0 2.0
   61    62   -64    44  -0.54700  1.0 1.0
   61    62   -64    44   1.23000 -1.0 2.0
   61    62    64    65   1.00000 -1.0 2.0
   62    61    72    67   0.49500  1.0 1.0
   62    61    72    67   1.31600 -1.0 2.0
   62    61    72    67  -0.02300  1.0 3.0
   62    61    72    73   1.00000 -1.0 2.0
   62    63   -66    67   6.00000 -1.0 2.0
   62    63    66    69   6.00000 -1.0 2.0
   63    62    64    44   1.00000 -1.0 2.0
   63    62    64    65   1.00000 -1.0 2.0
   63    66    67    68   1.00000 -1.0 2.0
   63    66    67    72  -0.56400  1.0 1.0
   63    66    67    72   0.77500 -1.0 2.0
   63    66    67    72   0.18700  1.0 3.0
   63    66    69    70   1.50000 -1.0 2.0
   63    66    69    71   1.50000 -1.0 2.0
   66    67   -72    61   2.45000 -1.0 2.0
   66    67    72    73   2.67200 -1.0 2.0
   67    66    69    70   1.00000 -1.0 2.0
   67    66    69    71   1.00000 -1.0 2.0
   68    67    72    61   2.56700 -1.0 2.0
   68    67    72    73   2.45000 -1.0 2.0
   72    61   -62    63   7.00000 -1.0 2.0
   72    61    62    64   7.00000 -1.0 2.0
   69    66    67    68   1.00000 -1.0 2.0
   69    66    67    72  -0.56400  1.0 1.0
   69    66    67    72   0.77500 -1.0 2.0
   69    66    67    72   0.18700  1.0 3.0
   64    44    47    48   0.22950  1.0 3.0
   64    44    47    52   1.26750  1.0 1.0
   64    44    47    52  -0.00950 -1.0 2.0
   64    44    47    52   0.30600  1.0 3.0
   64    44   -47    53   2.20050  1.0 1.0
   64    44   -47    53   0.63450 -1.0 2.0
   64    44   -47    53  -0.91300  1.0 3.0
   64    62    63    66   1.00000 -1.0 2.0
   41    38    40    44   0.06250  1.0 1.0
   41    38    40    44  -0.01100 -1.0 2.0
   41    38    40    44   0.28050  1.0 3.0
   41    46    49    50   0.00000  1.0 1.0
   41    46    49    51   0.15000  1.0 3.0
   41    46    49    55   0.91800  1.0 1.0
   41    46    49    55   0.22900 -1.0 2.0
   41    46    49    55   0.32050  1.0 3.0
   42    41    46    49   0.03000  1.0 3.0
   43    41    46    49   0.03000  1.0 3.0
   46    49    55    56  -0.22900  1.0 1.0
   46    49    55    56   0.09450 -1.0 2.0
   46    49    55    56  -0.07800  1.0 3.0
   50    49    55    56   0.00000  1.0 1.0
   51    49    55    56   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   54    61    53    47   1.00000 -1.0 2.0
   53    72    61    62   1.10000 -1.0 2.0
   63    64    62    61   1.10000 -1.0 2.0
   67    69    66    63  10.50000 -1.0 2.0
   68    66    67    72   1.00000 -1.0 2.0
   61    67    72    73  10.50000 -1.0 2.0
   71    66    69    70   1.00000 -1.0 2.0
   65    62    64    44   1.00000 -1.0 2.0
END
