* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    142    225     410
    1     0 S   NP   _N1_     1    28.81707    94.27357   -25.22350
    2     1 S   H    _HN1     2     1.02957    84.18992    15.47457
    3     1 S   H    _H1_     3     1.02834    22.86384  -166.56791
    4     1 S   H    _H2_     4     1.02779   115.79619   -92.10334
    5     1 S   CT   _CA1     5     1.50145   121.43171   125.84202
    6     5 S   HC   _HA1     6     1.09578   105.17746    81.73604
    7     5 S   CO3  _C1_     7     1.53751   112.39852   -38.37449
    8     7 S   O2Z  _O11     8     1.26362   114.98612   -42.89333
    9     7 S   O2Z  _O12     9     1.26235   114.91040   136.09023
   10     5 S   CT   _CB1    10     1.53077   107.40600  -160.40862
   11    10 S   HC   HB11    11     1.09831   109.20023   -50.65249
   12    10 S   HC   HB12    12     1.09815   110.46336    65.85402
   13    10 S   CT   _CG1    13     1.53047   112.76613  -171.73915
   14    13 S   HC   HG11    14     1.09588   110.52867   -66.63796
   15    13 S   HC   HG12    15     1.09664   109.88913    52.61458
   16    13 S   C    _CD1    16     1.51852   112.21420   172.88148
   17    16 S   O    _OE1    17     1.22742   123.20706     3.08261
   18    16 S   N    _N2_    18     1.38652   111.76862  -176.61829
   19    18 S   H    _HN2    19     1.01582   119.05523     0.60587
   20    18 S   CT1  _CA2    20     1.46171   123.32646   178.02286
   21    20 S   HC   _HA2    21     1.09745   109.32382     0.44937
   22    20 S   C    _C2_    22     1.53573   108.77315  -115.04240
   23    22 S   O    _O2_    23     1.23058   122.09262  -146.77651
   24    20 S   CT   _CB2    32     1.53317   111.78200   122.33697
   25    24 S   HC   HB21    33     1.09597   110.29436    56.45819
   26    24 S   HC   HB22    34     1.09419   109.94729   175.34015
   27    22 S   N    _N3_    24     1.38466   113.67344    40.72848
   28    27 S   H    _HN3    25     1.01477   119.00860    -0.67897
   29    24 S   S    _SG2    35     1.82558   111.83732   -64.30344
   30    27 S   CT   _CA3    26     1.45461   123.50297   175.05823
   31    30 S   HC   HA31    27     1.09516   109.35253    22.88839
   32    30 S   HC   HA32    28     1.09499   107.11094   139.90285
   33    29 S   CT   _C11    36     1.84189    99.14211  -173.27553
   34    33 S   HC   _H3_    37     1.09580   108.45339   -25.23984
   35    30 S   CO3  _C3_    29     1.52911   112.95684  -100.66114
   36    35 S   O2Z  _O31    30     1.26412   115.32206   -46.71193
   37    35 S   O2Z  _O32    31     1.26340   115.03615   134.16053
   38    33 S   CM   _C5_    38     1.51524   108.07370  -145.83522
   39    38 S   CM   _C4_    39     1.46461   108.64306   -93.29581
   40    39 S   CM   _C6_    40     1.34978   120.93309   168.62532
   41    39 S   CT   _C10    61     1.50799   108.22883   -10.49962
   42    41 S   HC   _H25    62     1.09735   108.77617   105.13761
   43    40 S   C3T  _C12    41     1.50599   118.70531    -0.52860
   44    40 S   CT   _C15    57     1.50583   122.60922  -179.29557
   45    44 S   HC   _H27    58     1.09469   110.86066   124.78740
   46    44 S   HC   _H28    59     1.09232   113.31776     5.91032
   47    44 S   HC   _H29    60     1.09474   110.11956  -114.88755
   48    33 S   CT   _C14    63     1.55608   116.48462   100.51902
   49    41 S   OH   _O17    73     1.41842   112.32130  -134.79251
   50    49 S   HO   _H38    74     0.97363   106.87272   173.68400
   51    43 S   C3T  _C8_    42     1.52641   114.55993  -110.22237
   52    51 S   HC   _H21    43     1.08342   119.27788   139.56999
   53    51 S   HC   _H22    44     1.08428   119.18640    -5.94063
   54    43 S   CT   _C13    48     1.55771   113.73298    30.77643
   55    48 S   CT   _C17    64     1.55716   108.72985  -161.40217
   56    55 S   HC   _H33    65     1.09626   110.39322    62.43214
   57    55 S   HC   _H34    66     1.09532   112.35052   -57.42602
   58    55 S   HC   _H35    67     1.09515   112.11655  -178.06548
   59    48 S   CT   _C18    68     1.54233   115.11486   -40.39599
   60    59 S   HC   _H36    69     1.09369   112.02887    58.80060
   61    59 S   HC   _H37    70     1.09515   110.70773   -62.47442
   62    43 S   C3T  _C9_    45     1.51858   121.24799  -177.56072
   63    62 S   HC   _H23    46     1.08231   120.40620    -5.38951
   64    62 S   HC   _H24    47     1.08477   118.63195  -151.21508
   65    38 S   CMA  _C7_    49     1.35444   127.02992    94.46296
   66    65 S   OM   _O16    50     1.26473   130.35297    -4.19003
   67    54 S   CT   _C16    51     1.54404   109.09725    79.70235
   68    67 S   HC   _H30    52     1.09626   110.78424    57.48193
   69    67 S   HC   _H31    53     1.09529   112.17106   -63.06218
   70    67 S   HC   _H32    54     1.09630   111.32470   175.33961
   71    54 S   OH   _O18    55     1.44122   108.81166  -165.20051
   72    71 S   HO   _H39    56     0.97408   106.17910   146.81069
   73    59 S   OH   _O19    71     1.42549   110.56230   177.79788
   74    73 S   HO   _H40    72     0.97279   106.93806   178.13229
  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
  19   7   2   1   1  15  18  19  15   5  19   6   2   1   1  12
   3   1   9   5   4  11   7   3   2   1   4   3   2   5   1   1
   7   2   5   3   2   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    65    41    48    55    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    54    65    66    41    42    48    55    56    57    58    59    60    61    73    49  
   38    39    65    41    48    55    59  
   36    37  
   37  
    0  
   39    40    43    54    65    66    67    71    44    41    42    48    55    59    49  
   40    43    51    62    54    65    66    44    45    46    47    41    42    48    55    59    49    50  
   43    51    52    53    62    63    64    54    65    67    71    44    45    46    47    41    42    48    49  
   42    48    55    56    57    58    59    60    61    73    49    50    43    44    65  
   48    55    59    49    50  
   51    52    53    62    63    64    54    65    66    67    68    69    70    71    72    44    45    46    47  
   45    46    47    51    54    62  
   46    47  
   47  
    0  
   55    56    57    58    59    60    61    73    74    49    50    65  
   50    55    59  
    0  
   52    53    62    63    64    54    65    67    71  
   53    62    63    64    54  
   62    63    64    54  
   65    66    67    68    69    70    71    72    62    63    64  
   56    57    58    59    60    61    73  
   57    58    59  
   58    59  
   59  
   60    61    73    74  
   61    73    74  
   73    74  
   63    64    65    67    71  
   64  
    0  
   66    67    68    69    70    71    72  
   67    71  
   68    69    70    71    72  
   69    70    71  
   70    71  
   71  
   72  
    0  
   74  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   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    48   268.000  1.529
   38    39   380.000  1.444
   38    65   465.000  1.376
   39    40   549.000  1.340
   39    41   317.000  1.510
   40    43   305.000  1.480
   40    44   317.000  1.510
   43    51   260.000  1.509
   43    62   260.000  1.509
   43    54   275.000  1.510
   51    52   340.000  1.088
   51    53   340.000  1.088
   51    62   260.000  1.509
   62    63   340.000  1.088
   62    64   340.000  1.088
   54    65   270.000  1.512
   54    67   268.000  1.529
   54    71   320.000  1.410
   65    66   745.000  1.250
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    49   320.000  1.410
   48    55   268.000  1.529
   48    59   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    73   320.000  1.410
   73    74   553.000  0.945
   49    50   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  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    65    70.00000  124.00000
   33    48    41    58.35000  112.70000
   33    48    55    58.35000  112.70000
   33    48    59    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    70.00000  123.01800
   38    39    41    70.00000  124.00000
   38    65    54    65.00000  122.18000
   38    65    66    65.00000  137.10300
   39    40    43    55.00000  125.06700
   39    40    44    70.00000  124.00000
   39    41    42    35.00000  109.50000
   39    41    48    70.00000  112.02700
   39    41    49    90.00000  110.39200
   40    43    51    60.00000  120.58800
   40    43    62    60.00000  120.58800
   40    43    54    65.00000  117.55000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   43    51    52    37.50000  117.20000
   43    51    53    37.50000  117.20000
   43    51    62    10.00000   60.00500
   43    62    51    10.00000   60.00500
   43    62    63    37.50000  117.20000
   43    62    64    37.50000  117.20000
   43    54    65    70.00000  112.02700
   43    54    67    70.00000  112.37300
   43    54    71    50.00000  109.50000
   51    62    63    37.50000  117.20000
   51    62    64    37.50000  117.20000
   53    51    52    35.00000  114.30000
   62    43    51    10.00000   60.00500
   62    51    52    37.50000  117.20000
   62    51    53    37.50000  117.20000
   64    62    63    35.00000  114.30000
   54    43    51    60.00000  120.94000
   54    43    62    60.00000  120.94000
   54    65    66    85.00000  112.85300
   54    67    68    37.50000  110.70000
   54    67    69    37.50000  110.70000
   54    67    70    37.50000  110.70000
   54    71    72    55.00000  108.50000
   65    38    39    70.00000  117.34000
   67    54    65    70.00000  112.02700
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    54    65    90.00000  110.39200
   71    54    67    50.00000  109.50000
   44    40    43    65.00000  117.92700
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   41    39    40    70.00000  124.00000
   41    48    55    58.35000  112.70000
   41    48    59    58.35000  112.70000
   41    49    50    55.00000  108.50000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    41    42    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    37.50000  110.70000
   48    59    60    37.50000  110.70000
   48    59    61    37.50000  110.70000
   48    59    73    50.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    48    55    58.35000  112.70000
   59    73    74    55.00000  108.50000
   61    59    60    33.00000  107.80000
   73    59    60    35.00000  109.50000
   73    59    61    35.00000  109.50000
   49    41    42    35.00000  109.50000
   49    41    48    50.00000  109.50000
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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    65   0.42700  1.0 1.0
   29    33    38    65  -0.70350 -1.0 2.0
   29    33    38    65  -0.43150  1.0 3.0
   29    33    48    41   0.44750  1.0 1.0
   29    33    48    41  -0.17800 -1.0 2.0
   29    33    48    41   0.20200  1.0 3.0
   29    33    48    55   0.44750  1.0 1.0
   29    33    48    55  -0.17800 -1.0 2.0
   29    33    48    55   0.20200  1.0 3.0
   29    33    48    59   0.44750  1.0 1.0
   29    33    48    59  -0.17800 -1.0 2.0
   29    33    48    59   0.20200  1.0 3.0
   33    38    39    40  -0.18600  1.0 3.0
   33    38   -39    41   0.35650  1.0 1.0
   33    38   -39    41   0.31450 -1.0 2.0
   33    38    65    54   7.00000 -1.0 2.0
   33    38    65    66   7.00000 -1.0 2.0
   33    48    55    56   0.15000  1.0 3.0
   33    48    55    57   0.15000  1.0 3.0
   33    48    55    58   0.15000  1.0 3.0
   33    48    59    60   0.15000  1.0 3.0
   33    48    59    61   0.15000  1.0 3.0
   33    48    59    73   0.86500  1.0 1.0
   33    48    59    73  -0.17500 -1.0 2.0
   33    48    59    73   0.20800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    65   0.00000  1.0 1.0
   34    33    48    41   0.15000  1.0 3.0
   34    33    48    55   0.15000  1.0 3.0
   34    33    48    59   0.15000  1.0 3.0
   38    33   -48    41   0.34400  1.0 1.0
   38    33   -48    41   0.09450 -1.0 2.0
   38    33   -48    41   0.11100  1.0 3.0
   38    33    48    55   0.34400  1.0 1.0
   38    33    48    55   0.09450 -1.0 2.0
   38    33    48    55   0.11100  1.0 3.0
   38    33    48    59   0.34400  1.0 1.0
   38    33    48    59   0.09450 -1.0 2.0
   38    33    48    59   0.11100  1.0 3.0
   38    39    40    43   7.00000 -1.0 2.0
   38    39    40    44   7.00000 -1.0 2.0
   38    39    41    42   0.00000  1.0 1.0
   38    39   -41    48   0.98200  1.0 1.0
   38    39   -41    48  -0.11900 -1.0 2.0
   38    39   -41    48   0.24250  1.0 3.0
   38    39    41    49  -0.17300  1.0 1.0
   38    39    41    49   0.35150 -1.0 2.0
   38    39    41    49   0.31550  1.0 3.0
   39    38    65    54   7.00000 -1.0 2.0
   39    38    65    66   7.00000 -1.0 2.0
   39    40    43    51   0.09850  1.0 1.0
   39    40    43    51   0.15250 -1.0 2.0
   39    40    43    51  -0.50650  1.0 3.0
   39    40    43    62   0.09850  1.0 1.0
   39    40    43    62   0.15250 -1.0 2.0
   39    40    43    62  -0.50650  1.0 3.0
   39    40   -43    54   0.09850  1.0 1.0
   39    40   -43    54   0.15250 -1.0 2.0
   39    40   -43    54  -0.50650  1.0 3.0
   39    40    44    45   0.00000  1.0 1.0
   39    40    44    46   0.00000  1.0 1.0
   39    40    44    47   0.00000  1.0 1.0
   39    41   -48    33   0.34400  1.0 1.0
   39    41   -48    33   0.09450 -1.0 2.0
   39    41   -48    33   0.11100  1.0 3.0
   39    41    48    55   0.34400  1.0 1.0
   39    41    48    55   0.09450 -1.0 2.0
   39    41    48    55   0.11100  1.0 3.0
   39    41    48    59   0.34400  1.0 1.0
   39    41    48    59   0.09450 -1.0 2.0
   39    41    48    59   0.11100  1.0 3.0
   39    41    49    50  -0.07800  1.0 1.0
   39    41    49    50  -0.21500 -1.0 2.0
   39    41    49    50  -0.03150  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    48   0.09850  1.0 1.0
   40    39    41    48   0.15250 -1.0 2.0
   40    39    41    48  -0.50650  1.0 3.0
   40    39    41    49   0.67800  1.0 1.0
   40    39    41    49   0.47050 -1.0 2.0
   40    39    41    49  -0.62500  1.0 3.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    53   0.15000  1.0 3.0
   40    43   -51    62   0.34400  1.0 1.0
   40    43   -51    62   0.09450 -1.0 2.0
   40    43   -51    62   0.11100  1.0 3.0
   40    43   -62    51   0.34400  1.0 1.0
   40    43   -62    51   0.09450 -1.0 2.0
   40    43   -62    51   0.11100  1.0 3.0
   40    43    62    63   0.15000  1.0 3.0
   40    43    62    64   0.15000  1.0 3.0
   40    43    54    65   0.31000  1.0 1.0
   40    43    54    65   0.14700 -1.0 2.0
   40    43    54    65   0.07550  1.0 3.0
   40    43    54    67   0.34400  1.0 1.0
   40    43    54    67   0.09450 -1.0 2.0
   40    43    54    67   0.11100  1.0 3.0
   40    43    54    71   1.05650  1.0 1.0
   40    43    54    71   0.15600 -1.0 2.0
   40    43    54    71   0.53150  1.0 3.0
   43    40    44    45   0.34800  1.0 3.0
   43    40    44    46   0.34800  1.0 3.0
   43    40    44    47   0.34800  1.0 3.0
   43    51   -62    63   0.15000  1.0 3.0
   43    51   -62    64   0.15000  1.0 3.0
   43    54   -65    38   0.09850  1.0 1.0
   43    54   -65    38   0.15250 -1.0 2.0
   43    54   -65    38  -0.50650  1.0 3.0
   43    54    65    66   0.09700  1.0 1.0
   43    54    65    66   0.15600 -1.0 2.0
   43    54    65    66  -0.50800  1.0 3.0
   43    54    67    68   0.15000  1.0 3.0
   43    54    67    69   0.15000  1.0 3.0
   43    54    67    70   0.15000  1.0 3.0
   43    54    71    72  -0.11600  1.0 1.0
   43    54    71    72  -0.09450 -1.0 2.0
   43    54    71    72   0.21250  1.0 3.0
   51    43   -62    63   0.15000  1.0 3.0
   51    43   -62    64   0.15000  1.0 3.0
   51    43    54    65   0.34400  1.0 1.0
   51    43    54    65   0.09450 -1.0 2.0
   51    43    54    65   0.11100  1.0 3.0
   51    43    54    67   0.07850  1.0 1.0
   51    43    54    67  -0.03950 -1.0 2.0
   51    43    54    67   0.67350  1.0 3.0
   51    43    54    71   0.86500  1.0 1.0
   51    43    54    71  -0.17500 -1.0 2.0
   51    43    54    71   0.20800  1.0 3.0
   52    51   -62    43   0.15000  1.0 3.0
   52    51    62    63   0.15000  1.0 3.0
   52    51    62    64   0.15000  1.0 3.0
   53    51   -62    43   0.15000  1.0 3.0
   53    51    62    63   0.15000  1.0 3.0
   53    51    62    64   0.15000  1.0 3.0
   62    43   -51    52   0.15000  1.0 3.0
   62    43   -51    53   0.15000  1.0 3.0
   62    43    54    65   0.34400  1.0 1.0
   62    43    54    65   0.09450 -1.0 2.0
   62    43    54    65   0.11100  1.0 3.0
   62    43    54    67   0.07850  1.0 1.0
   62    43    54    67  -0.03950 -1.0 2.0
   62    43    54    67   0.67350  1.0 3.0
   62    43    54    71   0.86500  1.0 1.0
   62    43    54    71  -0.17500 -1.0 2.0
   62    43    54    71   0.20800  1.0 3.0
   54    43    51    52   0.15000  1.0 3.0
   54    43    51    53   0.15000  1.0 3.0
   54    43   -51    62   0.07850  1.0 1.0
   54    43   -51    62  -0.03950 -1.0 2.0
   54    43   -51    62   0.67350  1.0 3.0
   54    43   -62    51   0.07850  1.0 1.0
   54    43   -62    51  -0.03950 -1.0 2.0
   54    43   -62    51   0.67350  1.0 3.0
   54    43    62    63   0.15000  1.0 3.0
   54    43    62    64   0.15000  1.0 3.0
   65    38   -39    40   0.28850  1.0 1.0
   65    38   -39    40   2.61350 -1.0 2.0
   65    38   -39    40   0.78400  1.0 3.0
   65    38    39    41  -0.18600  1.0 3.0
   65    54    67    68   0.15000  1.0 3.0
   65    54    67    69   0.15000  1.0 3.0
   65    54    67    70   0.15000  1.0 3.0
   65    54    71    72  -0.07800  1.0 1.0
   65    54    71    72  -0.21500 -1.0 2.0
   65    54    71    72  -0.03150  1.0 3.0
   67    54    65    38   0.09850  1.0 1.0
   67    54    65    38   0.15250 -1.0 2.0
   67    54    65    38  -0.50650  1.0 3.0
   67    54    65    66   0.09700  1.0 1.0
   67    54    65    66   0.15600 -1.0 2.0
   67    54    65    66  -0.50800  1.0 3.0
   67    54    71    72  -0.11600  1.0 1.0
   67    54    71    72  -0.09450 -1.0 2.0
   67    54    71    72   0.21250  1.0 3.0
   71    54    65    38   0.67800  1.0 1.0
   71    54    65    38   0.47050 -1.0 2.0
   71    54    65    38  -0.62500  1.0 3.0
   71    54    65    66   0.09700  1.0 1.0
   71    54    65    66   0.15600 -1.0 2.0
   71    54    65    66  -0.50800  1.0 3.0
   71    54    67    68   0.23400  1.0 3.0
   71    54    67    69   0.23400  1.0 3.0
   71    54    67    70   0.23400  1.0 3.0
   44    40    43    51   0.46850  1.0 1.0
   44    40    43    51   0.08550 -1.0 2.0
   44    40    43    51   0.09800  1.0 3.0
   44    40    43    62   0.46850  1.0 1.0
   44    40    43    62   0.08550 -1.0 2.0
   44    40    43    62   0.09800  1.0 3.0
   44    40    43    54   0.46850  1.0 1.0
   44    40    43    54   0.08550 -1.0 2.0
   44    40    43    54   0.09800  1.0 3.0
   41    39    40    43   7.00000 -1.0 2.0
   41    39    40    44   7.00000 -1.0 2.0
   41    48    55    56   0.15000  1.0 3.0
   41    48    55    57   0.15000  1.0 3.0
   41    48    55    58   0.15000  1.0 3.0
   41    48    59    60   0.15000  1.0 3.0
   41    48    59    61   0.15000  1.0 3.0
   41    48    59    73   0.86500  1.0 1.0
   41    48    59    73  -0.17500 -1.0 2.0
   41    48    59    73   0.20800  1.0 3.0
   42    41    48    33   0.15000  1.0 3.0
   42    41    48    55   0.15000  1.0 3.0
   42    41    48    59   0.15000  1.0 3.0
   42    41    49    50   0.19450  1.0 3.0
   48    33   -38    39   0.98200  1.0 1.0
   48    33   -38    39  -0.11900 -1.0 2.0
   48    33   -38    39   0.24250  1.0 3.0
   48    33    38    65   0.09850  1.0 1.0
   48    33    38    65   0.15250 -1.0 2.0
   48    33    38    65  -0.50650  1.0 3.0
   48    41    49    50  -0.11600  1.0 1.0
   48    41    49    50  -0.09450 -1.0 2.0
   48    41    49    50   0.21250  1.0 3.0
   48    59    73    74  -0.11600  1.0 1.0
   48    59    73    74  -0.09450 -1.0 2.0
   48    59    73    74   0.21250  1.0 3.0
   55    48    59    60   0.15000  1.0 3.0
   55    48    59    61   0.15000  1.0 3.0
   55    48    59    73   0.86500  1.0 1.0
   55    48    59    73  -0.17500 -1.0 2.0
   55    48    59    73   0.20800  1.0 3.0
   59    48    55    56   0.15000  1.0 3.0
   59    48    55    57   0.15000  1.0 3.0
   59    48    55    58   0.15000  1.0 3.0
   60    59    73    74   0.19450  1.0 3.0
   61    59    73    74   0.19450  1.0 3.0
   49    41    48    33   0.86500  1.0 1.0
   49    41    48    33  -0.17500 -1.0 2.0
   49    41    48    33   0.20800  1.0 3.0
   49    41    48    55   0.86500  1.0 1.0
   49    41    48    55  -0.17500 -1.0 2.0
   49    41    48    55   0.20800  1.0 3.0
   49    41    48    59   0.86500  1.0 1.0
   49    41    48    59  -0.17500 -1.0 2.0
   49    41    48    59   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    65   1.10000 -1.0 2.0
   38    41    39    40   1.10000 -1.0 2.0
   43    44    40    39   1.10000 -1.0 2.0
   54    66    65    38   1.10000 -1.0 2.0
END
