* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    138    195     393
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02065    79.32034    56.07664
    3     1 S   H    _H1_     3     1.02152    36.53659  -160.49773
    4     1 S   H    _H2_     4     1.02111    99.13876   -51.35937
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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     1.08641   109.88696   179.05602
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C15    36     1.82139    98.17248  -178.16293
   34    33 S   HC   _H3_    37     1.09576   109.30582   179.42291
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CM   _C16    38     1.50267   109.94630    59.98484
   39    38 S   CM   _C17    39     1.34786   122.76302  -114.33859
   40    38 S   OS   _O35    74     1.38349   116.74434    66.96222
   41    39 S   CM   _C12    40     1.45670   121.43953    -0.82969
   42    39 S   OH   _O34    72     1.37931   122.63186  -179.97202
   43    42 S   HO   _H16    73     0.96255   109.84883    -0.78484
   44    40 S   CT   _C18    75     1.40606   112.49761    88.73501
   45    44 S   HC   _H17    76     1.09216   109.49951  -179.92598
   46    44 S   HC   _H18    77     1.09264   109.53240    59.20727
   47    44 S   HC   _H19    78     1.09341   108.97157   -60.39420
   48    41 S   CM   _C13    41     1.34207   121.48761    -3.50012
   49    48 S   HC   _H15    42     1.08491   122.07333  -178.93614
   50    41 S   CT   _C11    45     1.49282   117.95682   177.28034
   51    50 S   HC   _H13    46     1.09581   108.70710    29.23617
   52    50 S   HC   _H14    47     1.09237   107.99129   145.02689
   53    33 S   CO4  _C14    43     1.52371   107.77532   -64.50651
   54    53 S   O    _O33    44     1.23159   121.80404   -65.25001
   55    50 S   CM   _C10    48     1.50145   111.89491   -90.30943
   56    55 S   HC   _H12    49     1.09038   114.28444    60.13682
   57    55 S   CM   _C9_    50     1.34857   128.06562  -120.26685
   58    57 S   CT   _C19    51     1.50756   119.89457     0.05595
   59    58 S   HC   _H20    52     1.09348   110.68832    90.00522
   60    58 S   HC   _H21    53     1.09539   110.24560   -30.13666
   61    58 S   HC   _H22    54     1.09534   112.37071  -149.90828
   62    57 S   CT   _C8_    55     1.51429   124.96689   178.02920
   63    62 S   HC   _H10    56     1.09816   108.14552    30.00966
   64    62 S   HC   _H11    57     1.09531   111.53457   144.41824
   65    62 S   CT   _C7_    58     1.53396   114.00305   -90.63763
   66    65 S   HC   _H8_    59     1.09360   110.53467    67.24957
   67    65 S   HC   _H9_    60     1.09798   108.26058  -177.86503
   68    65 S   CM   _C6_    61     1.50364   112.71847   -59.47684
   69    68 S   HC   _H7_    62     1.09068   113.92125   -55.09078
   70    68 S   CM   _C5_    63     1.34568   128.19881   125.72709
   71    70 S   CT   _C4_    64     1.50561   120.35312   178.99888
   72    71 S   HC   _H4_    65     1.09539   112.47505    90.08148
   73    71 S   HC   _H5_    66     1.09484   110.26484   -30.08299
   74    71 S   HC   _H6_    67     1.09556   110.36383  -149.89343
   75    70 S   CT   _C20    68     1.50217   125.36869    -1.41527
   76    75 S   HC   _H23    69     1.09555   110.03750    89.97254
   77    75 S   HC   _H24    70     1.09213   113.70018  -150.02339
   78    75 S   HC   _H25    71     1.09456   110.03970   -29.35761
  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   8   5   4   3
  11   6   2   1   1  13  12   7  12   3   1   3   2   1   1   7
   3   8   4   3   1   1  10   3  11   7   3   2   1   8   5   4
   7   4   3  10   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    53    54    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    48    49    53    54    42    40    44  
   38    39    48    53    54    40  
   36    37  
   37  
    0  
   39    41    48    53    54    50    42    43    40    44    45    46    47  
   41    48    49    53    50    51    52    55    42    43    40    44  
   44    45    46    47    41    42    53  
   48    49    53    54    50    51    52    55    56    57    42    43  
   43    48    50  
    0  
   45    46    47  
   46    47  
   47  
    0  
   49    53    54    50    51    52    55  
   53    54    50  
   51    52    55    56    57    58    62    53  
   52    55    56    57  
   55    56    57  
   54  
    0  
   56    57    58    59    60    61    62    63    64    65  
   57    58    62  
   58    59    60    61    62    63    64    65    66    67    68  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65    66    67    68    69    70  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    71    75  
   67    68    69    70  
   68    69    70  
   69    70    71    72    73    74    75    76    77    78  
   70    71    75  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    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   2.4200   0.0150   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   33    53   317.000  1.522
   38    39   549.000  1.340
   38    40   440.000  1.360
   39    41   380.000  1.444
   39    42   510.000  1.338
   41    48   549.000  1.340
   41    50   317.000  1.510
   48    49   340.000  1.080
   48    53   320.000  1.462
   53    54   570.000  1.229
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   317.000  1.510
   55    56   340.000  1.080
   55    57   549.000  1.340
   57    58   317.000  1.510
   57    62   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.510
   68    69   340.000  1.080
   68    70   549.000  1.340
   70    71   317.000  1.510
   70    75   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   42    43   553.000  0.945
   40    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    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  112.20000
   29    33    53    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    40    85.00000  112.85300
   33    53    48    65.00000  118.62400
   33    53    54    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    41    70.00000  123.01800
   38    39    42    80.00000  121.38400
   38    40    44    90.00000  111.18400
   39    41    48    70.00000  123.01800
   39    41    50    70.00000  124.00000
   39    42    43    70.00000  107.45700
   41    48    49    35.00000  120.00000
   41    48    53    65.00000  118.96000
   41    50    51    35.00000  109.50000
   41    50    52    35.00000  109.50000
   41    50    55    70.00000  110.12100
   48    53    54    80.00000  123.72100
   53    33    34    35.00000  109.50000
   53    33    38    70.00000  109.06800
   53    48    49    40.00000  117.72500
   50    41    48    70.00000  124.00000
   50    55    56    35.00000  117.00000
   50    55    57    70.00000  124.00000
   52    50    51    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    52    35.00000  109.50000
   55    57    58    70.00000  124.00000
   55    57    62    70.00000  124.00000
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  109.50000
   57    58    60    35.00000  109.50000
   57    58    61    35.00000  109.50000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    57    58    65.00000  117.92700
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    70.00000  112.02700
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    35.00000  117.00000
   65    68    70    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    70    71    70.00000  124.00000
   68    70    75    70.00000  124.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  109.50000
   70    71    73    35.00000  109.50000
   70    71    74    35.00000  109.50000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    70    71    65.00000  117.92700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   42    39    41    80.00000  121.38400
   40    38    39    80.00000  120.01400
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.09700  1.0 1.0
   29    33    38    40   0.15600 -1.0 2.0
   29    33    38    40  -0.50800  1.0 3.0
   29    33    53    48   0.65300  1.0 1.0
   29    33    53    48  -0.03850 -1.0 2.0
   29    33    53    48   0.33900  1.0 3.0
   29    33    53    54   0.30150 -1.0 2.0
   33    38    39    41   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    40    44   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    53    48   0.00000  1.0 1.0
   34    33    53    54   0.00000  1.0 1.0
   38    33    53    48   0.65300  1.0 1.0
   38    33    53    48  -0.03850 -1.0 2.0
   38    33    53    48   0.33900  1.0 3.0
   38    33    53    54   0.30150 -1.0 2.0
   38    39   -41    48   0.28850  1.0 1.0
   38    39   -41    48   2.61350 -1.0 2.0
   38    39   -41    48   0.78400  1.0 3.0
   38    39    41    50  -0.18600  1.0 3.0
   38    39    42    43  -0.66100  1.0 1.0
   38    39    42    43   1.20850 -1.0 2.0
   38    39    42    43  -0.36000  1.0 3.0
   38    40    44    45   0.08050  1.0 3.0
   38    40    44    46   0.08050  1.0 3.0
   38    40    44    47   0.08050  1.0 3.0
   39    38    40    44  -2.26850  1.0 1.0
   39    38    40    44   3.39050 -1.0 2.0
   39    41    48    49   7.00000 -1.0 2.0
   39    41    48    53   7.00000 -1.0 2.0
   39    41    50    51   0.00000  1.0 1.0
   39    41    50    52   0.00000  1.0 1.0
   39    41    50    55  -0.28300  1.0 1.0
   39    41    50    55   0.26700 -1.0 2.0
   39    41    50    55  -0.63300  1.0 3.0
   41    39    42    43  -0.66100  1.0 1.0
   41    39    42    43   1.20850 -1.0 2.0
   41    39    42    43  -0.36000  1.0 3.0
   41    48   -53    33  -0.33500  1.0 1.0
   41    48   -53    33   1.06600 -1.0 2.0
   41    48   -53    33  -0.14000  1.0 3.0
   41    48    53    54   1.00000 -1.0 2.0
   41    50    55    56   0.00000  1.0 1.0
   41    50    55    57  -0.28300  1.0 1.0
   41    50    55    57   0.26700 -1.0 2.0
   41    50    55    57  -0.63300  1.0 3.0
   48    41    50    51   0.00000  1.0 1.0
   48    41    50    52   0.00000  1.0 1.0
   48    41    50    55  -0.28300  1.0 1.0
   48    41    50    55   0.26700 -1.0 2.0
   48    41    50    55  -0.63300  1.0 3.0
   49    48    53    33   0.04550  1.0 1.0
   49    48    53    33   0.83000 -1.0 2.0
   49    48    53    33  -0.04000  1.0 3.0
   49    48    53    54   0.00000  1.0 1.0
   53    33   -38    39  -0.51250  1.0 1.0
   53    33   -38    39  -0.88800 -1.0 2.0
   53    33   -38    39   0.08850  1.0 3.0
   53    33    38    40   0.09700  1.0 1.0
   53    33    38    40   0.15600 -1.0 2.0
   53    33    38    40  -0.50800  1.0 3.0
   50    41    48    49   7.00000 -1.0 2.0
   50    41    48    53   7.00000 -1.0 2.0
   50    55    57    58   7.00000 -1.0 2.0
   50    55    57    62   7.00000 -1.0 2.0
   51    50    55    56   0.33100  1.0 3.0
   51    50    55    57   0.00000  1.0 1.0
   52    50    55    56   0.33100  1.0 3.0
   52    50    55    57   0.00000  1.0 1.0
   55    57    58    59   0.00000  1.0 1.0
   55    57    58    60   0.00000  1.0 1.0
   55    57    58    61   0.00000  1.0 1.0
   55    57    62    63   0.00000  1.0 1.0
   55    57    62    64   0.00000  1.0 1.0
   55    57    62    65   0.09850  1.0 1.0
   55    57    62    65   0.15250 -1.0 2.0
   55    57    62    65  -0.50650  1.0 3.0
   56    55    57    58   7.00000 -1.0 2.0
   56    55    57    62   7.00000 -1.0 2.0
   57    62    65    66   0.15000  1.0 3.0
   57    62    65    67   0.15000  1.0 3.0
   57    62    65    68   0.31000  1.0 1.0
   57    62    65    68   0.14700 -1.0 2.0
   57    62    65    68   0.07550  1.0 3.0
   58    57    62    63   0.34800  1.0 3.0
   58    57    62    64   0.34800  1.0 3.0
   58    57    62    65   0.46850  1.0 1.0
   58    57    62    65   0.08550 -1.0 2.0
   58    57    62    65   0.09800  1.0 3.0
   62    57    58    59   0.34800  1.0 3.0
   62    57    58    60   0.34800  1.0 3.0
   62    57    58    61   0.34800  1.0 3.0
   62    65    68    69   0.00000  1.0 1.0
   62    65    68    70   0.09850  1.0 1.0
   62    65    68    70   0.15250 -1.0 2.0
   62    65    68    70  -0.50650  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    70    71   7.00000 -1.0 2.0
   65    68    70    75   7.00000 -1.0 2.0
   66    65    68    69   0.33100  1.0 3.0
   66    65    68    70   0.00000  1.0 1.0
   67    65    68    69   0.33100  1.0 3.0
   67    65    68    70   0.00000  1.0 1.0
   68    70    71    72   0.00000  1.0 1.0
   68    70    71    73   0.00000  1.0 1.0
   68    70    71    74   0.00000  1.0 1.0
   68    70    75    76   0.00000  1.0 1.0
   68    70    75    77   0.00000  1.0 1.0
   68    70    75    78   0.00000  1.0 1.0
   69    68    70    71   7.00000 -1.0 2.0
   69    68    70    75   7.00000 -1.0 2.0
   71    70    75    76   0.34800  1.0 3.0
   71    70    75    77   0.34800  1.0 3.0
   71    70    75    78   0.34800  1.0 3.0
   75    70    71    72   0.34800  1.0 3.0
   75    70    71    73   0.34800  1.0 3.0
   75    70    71    74   0.34800  1.0 3.0
   42    39    41    48   0.50950  1.0 1.0
   42    39    41    48   0.56650 -1.0 2.0
   42    39    41    48   0.34050  1.0 3.0
   42    39    41    50   1.08500 -1.0 2.0
   40    38    39    41   7.00000 -1.0 2.0
   40    38    39    42   7.00000 -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
   33    40    38    39   1.10000 -1.0 2.0
   41    42    39    38   1.10000 -1.0 2.0
   39    50    41    48   1.10000 -1.0 2.0
   53    49    48    41   1.10000 -1.0 2.0
   33    48    53    54  10.50000 -1.0 2.0
   50    56    55    57  15.00000 -1.0 2.0
   58    62    57    55  15.00000 -1.0 2.0
   65    69    68    70  15.00000 -1.0 2.0
   71    75    70    68  15.00000 -1.0 2.0
END
