* LIGAND DATABASE FILE (OPLS2005)
*
001      76    76    134    203     400
    1     0 S   NP   _N1_     1    29.45531    97.02011   -17.57347
    2     1 S   H    _HN1     2     1.02839    50.04067   148.44052
    3     1 S   H    _H1_     3     1.02780    70.96373   -76.13541
    4     1 S   H    _H2_     4     1.02962    88.01895    33.91933
    5     1 S   CT   _CA1     5     1.50149   157.95568  -178.23121
    6     5 S   HC   _HA1     6     1.09617   105.12247    32.74421
    7     5 S   CO3  _C1_     7     1.53588   111.95381   -86.73706
    8     7 S   O2Z  _O11     8     1.26260   115.13637   -56.77160
    9     7 S   O2Z  _O12     9     1.26301   114.83731   121.93657
   10     5 S   CT   _CB1    10     1.53106   107.27996   149.79528
   11    10 S   HC   HB11    11     1.09793   108.49958   -55.16117
   12    10 S   HC   HB12    12     1.09804   110.82417    61.02030
   13    10 S   CT   _CG1    13     1.53059   112.79256  -176.67928
   14    13 S   HC   HG11    14     1.09541   110.18004   -71.84804
   15    13 S   HC   HG12    15     1.09601   109.93966    46.99584
   16    13 S   C    _CD1    16     1.51940   112.33980   166.21885
   17    16 S   O    _OE1    17     1.22822   122.98404   -15.32612
   18    16 S   N    _N2_    18     1.38531   112.27326   166.85531
   19    18 S   H    _HN2    19     1.01764   118.92777     0.03956
   20    18 S   CT1  _CA2    20     1.46004   122.72994   172.91662
   21    20 S   HC   _HA2    21     1.09695   110.37499     6.50765
   22    20 S   C    _C2_    22     1.52713   104.56892  -109.82877
   23    22 S   O    _O2_    23     1.22928   122.66540   -93.83260
   24    20 S   CT   _CB2    32     1.52988   111.98472   129.99010
   25    24 S   HC   HB21    33     1.09347   110.86203    48.57721
   26    24 S   HC   HB22    34     1.09563   110.02005   166.74067
   27    22 S   N    _N3_    24     1.38608   112.70476    82.70495
   28    27 S   H    _HN3    25     1.01549   119.46896     4.27622
   29    24 S   S    _SG2    35     1.82701   110.79406   -75.35659
   30    27 S   CT   _CA3    26     1.45419   122.88012   179.98022
   31    30 S   HC   HA31    27     1.09548   108.86031    32.06585
   32    30 S   HC   HA32    28     1.09485   107.21147   148.98265
   33    29 S   CT   _C14    36     1.84582   100.69614   128.89571
   34    33 S   HC   _H8_    37     1.09332   105.40069    44.42322
   35    30 S   CO3  _C3_    29     1.52959   113.45551   -91.11056
   36    35 S   O2Z  _O31    30     1.26374   115.57727   -40.97761
   37    35 S   O2Z  _O32    31     1.26384   114.85602   139.95342
   38    33 S   CM   _C11    38     1.53492   110.41262   -75.22695
   39    33 S   CT   _C15    71     1.53510   109.40826   159.90246
   40    39 S   HC   _H13    72     1.09842   109.21966   171.34885
   41    39 S   HC   _H14    73     1.09757   110.85532    54.11343
   42    38 S   CM   _C10    39     1.35636   122.94702   115.61455
   43    38 S   CT   _C12    65     1.52430   117.43160   -63.67083
   44    43 S   HC   _H11    66     1.09680   111.52172   153.72936
   45    43 S   HC   _H12    67     1.09514   110.76644    37.43106
   46    39 S   CO3  _C16    74     1.53512   115.85070   -70.09953
   47    46 S   O2Z  _O38    75     1.26470   114.51917   149.41676
   48    46 S   O2Z  _O37    76     1.26227   116.26771   -31.67791
   49    42 S   CZ   _C17    40     1.42986   122.16589     3.29812
   50    49 S   NZ   _N4_    41     1.16084   178.97664  -164.84223
   51    42 S   OS1  _O34    42     1.38833   119.36018  -179.46918
   52    43 S   CO3  _C13    68     1.52766   112.49421   -85.95587
   53    52 S   O2Z  _O36    69     1.26310   116.36338   -45.37387
   54    52 S   O2Z  _O35    70     1.26515   114.53918   135.87327
   55    51 S   CO1  _C9_    43     1.43941   116.19878   142.27738
   56    55 S   HC   _H7_    44     1.09841   108.32730    70.13860
   57    55 S   CT   _C8_    45     1.53541   106.49778  -171.86622
   58    57 S   HC   _H6_    46     1.09491   109.47540    50.70723
   59    57 S   CT   _C7_    47     1.53119   112.04046   173.08270
   60    59 S   HC   _H5_    48     1.09670   110.12180    75.56646
   61    57 S   OH5  _O39    63     1.43051   109.80533   -65.31543
   62    61 S   HO   _H15    64     0.97196   108.29116   -62.45777
   63    59 S   CT   _C6_    49     1.53203   111.66833   -47.04847
   64    63 S   HC   _H4_    50     1.09620   109.00827   -71.74199
   65    59 S   OH5  _O40    61     1.42939   109.67138  -168.70994
   66    65 S   HO   _H16    62     0.97678   107.95417    58.80279
   67    63 S   CT   _C5_    51     1.53207   110.04865    49.78163
   68    67 S   HC   _H3_    52     1.09850   110.23739    61.71148
   69    63 S   OH5  _O41    59     1.42641   109.79077   171.20257
   70    69 S   HO   _H17    60     0.97221   108.24382   -55.65474
   71    55 S   OS1  _O33    53     1.43191   111.82140   -51.48536
   72    67 S   CT   _C4_    54     1.52998   113.27226  -178.68672
   73    72 S   HC   _H9_    55     1.09435   110.99847   -64.91624
   74    72 S   HC   _H10    56     1.09432   109.86413   174.59974
   75    72 S   OH5  _O42    57     1.42145   110.79550    55.54067
   76    75 S   HO   _H18    58     0.97296   106.95261   175.45951
  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   9   5   4   3
  15   7   2   1   1  15   7   4   3  11   7   4   3   2   1   1
   3   1   8   2   1   1  13   6  12   7  13   7   4   1  12   7
   3   1   9   6   3   1   4   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    43    39    40    41    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    49    51    43    44    45    52    39    40    41    46    47    48  
   38    42    43    39    40    41    46  
   36    37  
   37  
    0  
   42    49    50    51    55    43    44    45    52    53    54    39    40    41    46  
   40    41    46    47    48    42    43  
   41    46    47    48  
   46    47    48  
   49    50    51    55    56    57    71    43    44    45    52  
   44    45    52    53    54    49    51  
   45    52    53    54  
   52    53    54  
   47    48  
   48  
    0  
   50    51    55  
   51  
   55    56    57    58    59    67    71    61  
   53    54  
   54  
    0  
   56    57    58    59    60    63    67    68    71    72    65    61    62  
   57    58    59    67    71    61  
   58    59    60    63    64    67    71    69    65    66    61    62  
   59    60    63    71    65    61    62  
   60    63    64    67    68    71    72    69    70    65    66    61    62  
   63    64    67    69    65    66    61  
   62    63    65    71  
    0  
   64    67    68    71    72    73    74    75    69    70    65    66  
   67    68    71    72    69    70    65  
   66    67    69  
    0  
   68    71    72    73    74    75    76    69    70  
   71    72    73    74    75    69  
   70    71    72  
    0  
   72    73    74    75  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   50   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   51   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   549.000  1.340
   38    43   317.000  1.510
   42    49   400.000  1.423
   42    51   440.000  1.360
   49    50   650.000  1.157
   51    55   370.000  1.399
   55    56   360.000  1.097
   55    57   255.000  1.525
   55    71   370.000  1.399
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   355.000  1.421
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   355.000  1.421
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   355.000  1.421
   67    68   340.000  1.090
   67    71   335.000  1.422
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   355.000  1.421
   75    76   580.000  0.967
   69    70   580.000  0.967
   65    66   580.000  0.967
   61    62   580.000  0.967
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    52   317.000  1.522
   52    53   656.000  1.250
   52    54   656.000  1.250
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    46   317.000  1.522
   46    47   656.000  1.250
   46    48   656.000  1.250
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    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    43    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    46    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    49    65.00000  121.28400
   38    42    51    80.00000  120.01400
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    52    65.00000  111.94000
   42    49    50    35.00000  179.19300
   42    51    55    90.00000  111.18400
   51    42    49    85.00000  115.49000
   51    55    56    60.00000  105.75400
   51    55    57    90.00000  109.70700
   51    55    71   110.00000  113.16000
   55    57    58    45.00000  109.54000
   55    57    59    70.00000  111.10000
   55    57    61    90.00000  109.42000
   55    71    67    90.00000  112.10700
   57    55    56    45.00000  111.65000
   57    59    60    37.50000  110.70000
   57    59    63    58.35000  112.70000
   57    59    65    90.00000  111.45300
   57    61    62    65.00000  108.53500
   59    57    58    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    67    58.35000  112.70000
   59    63    69    90.00000  111.45300
   59    65    66    65.00000  108.53500
   63    59    60    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    95.00000  107.88500
   63    67    72    58.35000  112.70000
   63    69    70    65.00000  108.53500
   67    63    64    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    90.00000  111.45300
   71    55    56    60.00000  105.75400
   71    55    57    90.00000  109.70700
   71    67    68    55.00000  108.98800
   72    67    68    37.50000  110.70000
   72    67    71    95.00000  107.88500
   72    75    76    65.00000  108.53500
   74    72    73    33.00000  107.80000
   75    72    73    60.00000  109.39000
   75    72    74    60.00000  109.39000
   69    63    64    60.00000  109.39000
   69    63    67    90.00000  111.45300
   65    59    60    60.00000  109.39000
   65    59    63    90.00000  111.45300
   61    57    58    60.00000  109.39000
   61    57    59    90.00000  111.45300
   43    38    42    70.00000  124.00000
   43    52    53    70.00000  117.00000
   43    52    54    70.00000  117.00000
   45    43    44    33.00000  107.80000
   52    43    44    35.00000  109.50000
   52    43    45    35.00000  109.50000
   54    52    53    80.00000  126.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    46    47    70.00000  117.00000
   39    46    48    70.00000  117.00000
   41    39    40    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    41    35.00000  109.50000
   48    46    47    80.00000  126.00000
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    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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    43   0.30250  1.0 1.0
   29    33    38    43  -0.14950 -1.0 2.0
   29    33    38    43   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    38    42    49   7.00000 -1.0 2.0
   33    38    42    51   7.00000 -1.0 2.0
   33    38    43    44   0.34800  1.0 3.0
   33    38    43    45   0.34800  1.0 3.0
   33    38    43    52   0.17250  1.0 1.0
   33    38    43    52  -0.04100 -1.0 2.0
   33    38    43    52  -0.33850  1.0 3.0
   33    39    46    47   0.41150 -1.0 2.0
   33    39    46    48   0.41150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    43   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    46  -0.11250  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    46  -0.98800  1.0 1.0
   38    33    39    46   0.48800 -1.0 2.0
   38    33    39    46   0.76800  1.0 3.0
   38    42    49    50   0.00000  1.0 1.0
   38    42    51    55  -2.26850  1.0 1.0
   38    42    51    55   3.39050 -1.0 2.0
   38    43    52    53   0.30150 -1.0 2.0
   38    43    52    54   0.30150 -1.0 2.0
   42    38    43    44   0.00000  1.0 1.0
   42    38    43    45   0.00000  1.0 1.0
   42    38    43    52  -0.51250  1.0 1.0
   42    38    43    52  -0.88800 -1.0 2.0
   42    38    43    52   0.08850  1.0 3.0
   42    51    55    56   0.08050  1.0 3.0
   42    51    55    57  -0.46850  1.0 1.0
   42    51    55    57   0.09300 -1.0 2.0
   42    51    55    57  -0.12850  1.0 3.0
   42    51    55    71  -0.48150  1.0 1.0
   42    51    55    71   0.09250 -1.0 2.0
   42    51    55    71  -0.12850  1.0 3.0
   49    42    51    55   2.00000 -1.0 2.0
   51    42    49    50   0.00000  1.0 1.0
   51    55    57    58   0.23400  1.0 3.0
   51    55    57    59   0.62750  1.0 1.0
   51    55    57    59  -0.30950 -1.0 2.0
   51    55    57    59   0.27300  1.0 3.0
   51    55    57    61   1.51850  1.0 1.0
   51    55    71    67  -0.70400  1.0 1.0
   51    55    71    67  -0.90350 -1.0 2.0
   55    57    59    60   0.15000  1.0 3.0
   55    57    59    63   0.56750  1.0 1.0
   55    57    59    63  -0.07550 -1.0 2.0
   55    57    59    63   0.20000  1.0 3.0
   55    57    59    65  -0.47750  1.0 1.0
   55    57    61    62   0.29150  1.0 1.0
   55    57    61    62  -0.28350 -1.0 2.0
   55    57    61    62   0.43600  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    61   0.23400  1.0 3.0
   56    55    71    67   0.37050  1.0 3.0
   57    55    71    67   0.06250  1.0 1.0
   57    55    71    67  -0.01100 -1.0 2.0
   57    55    71    67   0.28050  1.0 3.0
   57    59    63    64   0.15000  1.0 3.0
   57    59   -63    67   0.56750  1.0 1.0
   57    59   -63    67  -0.07550 -1.0 2.0
   57    59   -63    67   0.20000  1.0 3.0
   57    59    63    69  -0.47750  1.0 1.0
   57    59    65    66   0.29150  1.0 1.0
   57    59    65    66  -0.28350 -1.0 2.0
   57    59    65    66   0.43600  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    63   0.15000  1.0 3.0
   58    57    59    65   0.23400  1.0 3.0
   58    57    61    62   0.19450  1.0 3.0
   59    57    61    62   0.29150  1.0 1.0
   59    57    61    62  -0.28350 -1.0 2.0
   59    57    61    62   0.43600  1.0 3.0
   59    63    67    68   0.15000  1.0 3.0
   59    63    67    71   0.62750  1.0 1.0
   59    63    67    71  -0.30950 -1.0 2.0
   59    63    67    71   0.27300  1.0 3.0
   59    63    67    72   0.56750  1.0 1.0
   59    63    67    72  -0.07550 -1.0 2.0
   59    63    67    72   0.20000  1.0 3.0
   59    63    69    70   0.29150  1.0 1.0
   59    63    69    70  -0.28350 -1.0 2.0
   59    63    69    70   0.43600  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    67   0.15000  1.0 3.0
   60    59    63    69   0.23400  1.0 3.0
   60    59    65    66   0.19450  1.0 3.0
   63    59    65    66   0.29150  1.0 1.0
   63    59    65    66  -0.28350 -1.0 2.0
   63    59    65    66   0.43600  1.0 3.0
   63    67   -71    55   0.06250  1.0 1.0
   63    67   -71    55  -0.01100 -1.0 2.0
   63    67   -71    55   0.28050  1.0 3.0
   63    67    72    73   0.15000  1.0 3.0
   63    67    72    74   0.15000  1.0 3.0
   63    67    72    75  -0.47750  1.0 1.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    71   0.23400  1.0 3.0
   64    63    67    72   0.15000  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   67    63    69    70   0.29150  1.0 1.0
   67    63    69    70  -0.28350 -1.0 2.0
   67    63    69    70   0.43600  1.0 3.0
   67    72    75    76   0.29150  1.0 1.0
   67    72    75    76  -0.28350 -1.0 2.0
   67    72    75    76   0.43600  1.0 3.0
   68    67    71    55   0.37050  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.23400  1.0 3.0
   71    55    57    58   0.23400  1.0 3.0
   71    55   -57    59   0.62750  1.0 1.0
   71    55   -57    59  -0.30950 -1.0 2.0
   71    55   -57    59   0.27300  1.0 3.0
   71    55    57    61   1.51850  1.0 1.0
   71    67    72    73   0.23400  1.0 3.0
   71    67    72    74   0.23400  1.0 3.0
   71    67    72    75   1.51850  1.0 1.0
   72    67    71    55   0.06250  1.0 1.0
   72    67    71    55  -0.01100 -1.0 2.0
   72    67    71    55   0.28050  1.0 3.0
   73    72    75    76   0.19450  1.0 3.0
   74    72    75    76   0.19450  1.0 3.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    71   1.51850  1.0 1.0
   69    63    67    72  -0.47750  1.0 1.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    67  -0.47750  1.0 1.0
   65    59    63    69   3.77950  1.0 1.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    63  -0.47750  1.0 1.0
   61    57    59    65   3.77950  1.0 1.0
   43    38    42    49   7.00000 -1.0 2.0
   43    38    42    51   7.00000 -1.0 2.0
   44    43    52    53   0.00000  1.0 1.0
   44    43    52    54   0.00000  1.0 1.0
   45    43    52    53   0.00000  1.0 1.0
   45    43    52    54   0.00000  1.0 1.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    43   0.46850  1.0 1.0
   39    33    38    43   0.08550 -1.0 2.0
   39    33    38    43   0.09800  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    48   0.00000  1.0 1.0
   41    39    46    47   0.00000  1.0 1.0
   41    39    46    48   0.00000  1.0 1.0
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    43    38    42  15.00000 -1.0 2.0
   49    51    42    38  15.00000 -1.0 2.0
   53    43    52    54  10.50000 -1.0 2.0
   47    39    46    48  10.50000 -1.0 2.0
END
