* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    145    219     421
    1     0 S   NP   _N1_     1    28.90319    95.69487   -21.27256
    2     1 S   H    _HN1     2     1.02950    78.73316     8.58565
    3     1 S   H    _H1_     3     1.02824    39.32149   144.28771
    4     1 S   H    _H2_     4     1.02779    92.22158   -99.71053
    5     1 S   CT   _CA1     5     1.50137   148.11509   119.18111
    6     5 S   HC   _HA1     6     1.09566   105.20061    76.01093
    7     5 S   CO3  _C1_     7     1.53846   112.34586   -44.22956
    8     7 S   O2Z  _O11     8     1.26392   114.99637   -42.23599
    9     7 S   O2Z  _O12     9     1.26231   114.99250   136.76293
   10     5 S   CT   _CB1    10     1.53083   107.38731  -165.94414
   11    10 S   HC   HB11    11     1.09826   109.55816   -48.28932
   12    10 S   HC   HB12    12     1.09817   110.35505    68.38391
   13    10 S   CT   _CG1    13     1.52954   112.57037  -169.23916
   14    13 S   HC   HG11    14     1.09594   110.44933   -62.76552
   15    13 S   HC   HG12    15     1.09651   109.94788    56.44905
   16    13 S   C    _CD1    16     1.51824   112.29170   177.03522
   17    16 S   O    _OE1    17     1.22726   123.35088     2.52236
   18    16 S   N    _N2_    18     1.38567   111.59136  -177.99992
   19    18 S   H    _HN2    19     1.01666   118.85607     1.25305
   20    18 S   CT1  _CA2    20     1.46152   123.66346  -176.80819
   21    20 S   HC   _HA2    21     1.09727   109.21589     1.79471
   22    20 S   C    _C2_    22     1.53364   109.19450  -114.18727
   23    22 S   O    _O2_    23     1.23076   122.13425  -149.42754
   24    20 S   CT   _CB2    32     1.53569   111.21744   123.27720
   25    24 S   HC   HB21    33     1.09419   109.86778    63.22110
   26    24 S   HC   HB22    34     1.09542   110.28250  -179.06455
   27    22 S   N    _N3_    24     1.38292   113.78698    38.07974
   28    27 S   H    _HN3    25     1.01608   119.54233    -3.85788
   29    24 S   S    _SG2    35     1.83256   110.99671   -60.24526
   30    27 S   CT   _CA3    26     1.45291   123.12340   176.89562
   31    30 S   HC   HA31    27     1.09554   107.53774   -63.17088
   32    30 S   HC   HA32    28     1.09558   107.91983    53.21776
   33    29 S   CT   _C17    36     1.85968   102.30650   135.61661
   34    30 S   CO3  _C3_    29     1.52938   114.17842   175.17010
   35    34 S   O2Z  _O31    30     1.26363   116.08548    -1.44239
   36    34 S   O2Z  _O32    31     1.26438   114.40423   178.62087
   37    33 S   CO4  _C11    37     1.53185   110.77954   -53.68546
   38    37 S   O    _O22    38     1.22819   123.75553   -26.49554
   39    33 S   CT   _C16    51     1.53346   107.45428    67.46354
   40    39 S   HC   _H30    52     1.09759   110.34405    67.10744
   41    39 S   HC   _H31    53     1.09690   112.43217   -53.08897
   42    33 S   CT   _C21    54     1.55960   108.29576  -173.22208
   43    42 S   HC   _H41    55     1.09924   109.66141   -57.77407
   44    42 S   HC   _H42    56     1.09482   109.94966  -171.89342
   45    37 S   CA   _C9_    39     1.48401   117.42355   157.15917
   46    42 S   CM   _C12    57     1.51045   115.12538    63.52486
   47    46 S   HC   _H28    58     1.08972   114.24108   -74.82288
   48    45 S   CA   _C7_    40     1.40102   119.09713   167.27415
   49    48 S   HA   _H27    41     1.08731   121.17397     1.39297
   50    46 S   CM   _C14    59     1.34788   128.35444   105.91693
   51    48 S   CA   _C5_    42     1.39520   120.14251  -177.76866
   52    51 S   HA   _H25    43     1.08650   119.94035   179.73533
   53    50 S   CT   _C18    60     1.50376   125.16470    -1.24804
   54    53 S   HC   _H32    61     1.09397   110.52101   119.27983
   55    53 S   HC   _H33    62     1.09523   110.01699  -121.19484
   56    53 S   HC   _H34    63     1.09129   113.65161    -1.24002
   57    50 S   CT   _C23    64     1.51891   119.72875  -178.66470
   58    57 S   HC   _H45    65     1.09762   108.48489   132.86751
   59    57 S   HC   _H46    66     1.09836   110.44025    17.94542
   60    51 S   CA   _C4_    44     1.39308   120.08229     0.05234
   61    60 S   HA   _H24    45     1.08648   119.97667   179.88465
   62    57 S   CT   _C22    67     1.53393   113.98575  -105.60911
   63    62 S   HC   _H43    68     1.09327   110.60026   -57.03252
   64    62 S   HC   _H44    69     1.09768   108.28889  -172.01593
   65    60 S   CA   _C6_    46     1.39483   120.05820    -0.29541
   66    65 S   HA   _H26    47     1.08717   118.83084  -179.47251
   67    62 S   CM   _C13    70     1.50472   112.43385    69.63265
   68    67 S   HC   _H29    71     1.08979   113.82471    68.99601
   69    45 S   CA   _C8_    48     1.39710   121.20511   -10.92404
   70    67 S   CM   _C15    72     1.34660   128.18980  -111.33034
   71    69 S   CO4  _C10    49     1.47841   120.82963    -3.51953
   72    71 S   O    _O21    50     1.22684   120.74929   172.16702
   73    70 S   CT   _C19    73     1.50589   120.34507  -179.67254
   74    73 S   HC   _H35    74     1.09496   110.23232   120.60909
   75    73 S   HC   _H36    75     1.09511   112.43903     0.51662
   76    73 S   HC   _H37    76     1.09499   110.24311  -119.57493
   77    70 S   CT   _C20    77     1.50222   125.38834     1.00988
   78    77 S   HC   _H38    78     1.09530   110.00473   121.45179
   79    77 S   HC   _H39    79     1.09505   110.05272  -119.29117
   80    77 S   HC   _H40    80     1.09127   113.71644     1.32131
  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  12   5   4   3
  16   2   1   1  15   5  11   5   4   9   4   3  10  10   3   8
   4  11   6   3   7   3   2   1   8   5   4   5   3   7   4   3
   4   2  10   3   2   8   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    71    39    40    41    42    43    44    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    48    69    71    72    39    40    41    42    43    44    46    47    50  
   35    36  
   36  
    0  
   38    45    48    49    51    65    69    71    39    40    41    42    43    44    46  
   45    48    69    39    42  
   40    41    42    43    44    46    45    65    69    71    72  
   41    42    69    71    72  
   42    69    71    72  
   43    44    46    47    50    53    57    45    71  
   44    46    47    50  
   46    47    50  
   48    49    51    52    60    65    66    69    71    72  
   47    50    53    54    55    56    57    58    59    62  
   50    53    57  
   49    51    52    60    61    65    69    71  
   51    52    60    69  
   53    54    55    56    57    58    59    62    63    64    67  
   52    60    61    65    66    69  
   60    61    65  
   54    55    56    57    58    59    62  
   55    56    57  
   56    57  
   57  
   58    59    62    63    64    67    68    70  
   59    62    63    64    67  
   62    63    64    67  
   61    65    66    69    71  
   65    66    69  
   63    64    67    68    70    73    77  
   64    67    68    70  
   67    68    70  
   66    69    71    72  
   69    71  
   68    70    73    74    75    76    77    78    79    80  
   70    73    77  
   71    72  
   73    74    75    76    77    78    79    80  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    45   310.000  1.470
   45    48   469.000  1.400
   45    69   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    60   469.000  1.400
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    71   310.000  1.470
   71    72   570.000  1.229
   71    39   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   317.000  1.510
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    53   317.000  1.510
   50    57   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   317.000  1.510
   67    68   340.000  1.080
   67    70   549.000  1.340
   70    73   317.000  1.510
   70    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    45    65.00000  115.47100
   33    39    71    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    46    70.00000  112.02700
   37    45    48    60.00000  119.52600
   37    45    69    60.00000  119.52600
   45    37    38    75.00000  123.78400
   45    48    49    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    69    65    63.00000  120.00000
   45    69    71    60.00000  119.52600
   48    51    52    35.00000  120.00000
   48    51    60    63.00000  120.00000
   51    48    49    35.00000  120.00000
   51    60    61    35.00000  120.00000
   51    60    65    63.00000  120.00000
   60    51    52    35.00000  120.00000
   60    65    66    35.00000  120.00000
   60    65    69    63.00000  120.00000
   65    60    61    35.00000  120.00000
   65    69    71    60.00000  119.52600
   69    45    48    63.00000  120.00000
   69    65    66    35.00000  120.00000
   69    71    72    75.00000  123.78400
   69    71    39    65.00000  115.47100
   71    39    40    35.00000  109.50000
   71    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    71    72    80.00000  120.40000
   41    39    40    33.00000  107.80000
   42    33    37    63.00000  111.10000
   42    33    39    58.35000  112.70000
   42    46    47    35.00000  117.00000
   42    46    50    70.00000  124.00000
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    35.00000  109.50000
   46    50    53    70.00000  124.00000
   46    50    57    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   50    57    58    35.00000  109.50000
   50    57    59    35.00000  109.50000
   50    57    62    70.00000  112.02700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    50    53    65.00000  117.92700
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    67    70.00000  112.02700
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    67    68    35.00000  117.00000
   62    67    70    70.00000  124.00000
   64    62    63    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    70    73    70.00000  124.00000
   67    70    77    70.00000  124.00000
   70    67    68    35.00000  120.00000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    76    35.00000  109.50000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    70    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.30150 -1.0 2.0
   29    33    37    45   0.65300  1.0 1.0
   29    33    37    45  -0.03850 -1.0 2.0
   29    33    37    45   0.33900  1.0 3.0
   29    33    39    71   0.56750  1.0 1.0
   29    33    39    71  -0.07550 -1.0 2.0
   29    33    39    71   0.20000  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    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    46   0.56750  1.0 1.0
   29    33    42    46  -0.07550 -1.0 2.0
   29    33    42    46   0.20000  1.0 3.0
   33    37    45    48   2.26350  1.0 1.0
   33    37    45    48   0.76750 -1.0 2.0
   33    37    45    48   0.22500  1.0 3.0
   33    37    45    69   2.26350  1.0 1.0
   33    37    45    69   0.76750 -1.0 2.0
   33    37    45    69   0.22500  1.0 3.0
   33    42    46    47   0.00000  1.0 1.0
   33    42    46    50   0.09850  1.0 1.0
   33    42    46    50   0.15250 -1.0 2.0
   33    42    46    50  -0.50650  1.0 3.0
   37    33    39    71   0.11950  1.0 1.0
   37    33    39    71   0.20300 -1.0 2.0
   37    33    39    71  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43  -0.11250  1.0 3.0
   37    33    42    44  -0.11250  1.0 3.0
   37    33    42    46  -0.98800  1.0 1.0
   37    33    42    46   0.48800 -1.0 2.0
   37    33    42    46   0.76800  1.0 3.0
   37    45    48    49   3.62500 -1.0 2.0
   37    45    48    51   3.62500 -1.0 2.0
   37    45    69    65   3.62500 -1.0 2.0
   37    45   -69    71   3.62500 -1.0 2.0
   38    37    45    48   1.05000 -1.0 2.0
   38    37    45    69   1.05000 -1.0 2.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    60   3.62500 -1.0 2.0
   45    69    71    72   1.05000 -1.0 2.0
   45    69    71    39   2.26350  1.0 1.0
   45    69    71    39   0.76750 -1.0 2.0
   45    69    71    39   0.22500  1.0 3.0
   48    45    69    65   3.62500 -1.0 2.0
   48    45    69    71   3.62500 -1.0 2.0
   48    51    60    61   3.62500 -1.0 2.0
   48    51   -60    65   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    60   3.62500 -1.0 2.0
   51    60    65    66   3.62500 -1.0 2.0
   51    60    65    69   3.62500 -1.0 2.0
   52    51    60    61   3.62500 -1.0 2.0
   52    51    60    65   3.62500 -1.0 2.0
   60    65   -69    45   3.62500 -1.0 2.0
   60    65    69    71   3.62500 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   61    60    65    69   3.62500 -1.0 2.0
   65    69    71    72   1.05000 -1.0 2.0
   65    69    71    39   2.26350  1.0 1.0
   65    69    71    39   0.76750 -1.0 2.0
   65    69    71    39   0.22500  1.0 3.0
   66    65    69    45   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    45    48    49   3.62500 -1.0 2.0
   69    45   -48    51   3.62500 -1.0 2.0
   69    71   -39    33   0.05850 -1.0 2.0
   69    71   -39    33   0.17250  1.0 3.0
   69    71    39    40   0.00000  1.0 1.0
   69    71    39    41   0.00000  1.0 1.0
   72    71    39    33   0.30150 -1.0 2.0
   72    71    39    40   0.00000  1.0 1.0
   72    71    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    45   0.05850 -1.0 2.0
   39    33   -37    45   0.17250  1.0 3.0
   39    33    42    43   0.15000  1.0 3.0
   39    33    42    44   0.15000  1.0 3.0
   39    33    42    46   0.34400  1.0 1.0
   39    33    42    46   0.09450 -1.0 2.0
   39    33    42    46   0.11100  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    45   0.05850 -1.0 2.0
   42    33    37    45   0.17250  1.0 3.0
   42    33    39    71  -0.95700  1.0 1.0
   42    33    39    71  -0.18200 -1.0 2.0
   42    33    39    71   0.29450  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
   42    46    50    53   7.00000 -1.0 2.0
   42    46    50    57   7.00000 -1.0 2.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    50   0.00000  1.0 1.0
   44    42    46    47   0.33100  1.0 3.0
   44    42    46    50   0.00000  1.0 1.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   46    50    57    58   0.00000  1.0 1.0
   46    50    57    59   0.00000  1.0 1.0
   46    50    57    62   0.09850  1.0 1.0
   46    50    57    62   0.15250 -1.0 2.0
   46    50    57    62  -0.50650  1.0 3.0
   47    46    50    53   7.00000 -1.0 2.0
   47    46    50    57   7.00000 -1.0 2.0
   50    57    62    63   0.15000  1.0 3.0
   50    57    62    64   0.15000  1.0 3.0
   50    57    62    67   0.31000  1.0 1.0
   50    57    62    67   0.14700 -1.0 2.0
   50    57    62    67   0.07550  1.0 3.0
   53    50    57    58   0.34800  1.0 3.0
   53    50    57    59   0.34800  1.0 3.0
   53    50    57    62   0.46850  1.0 1.0
   53    50    57    62   0.08550 -1.0 2.0
   53    50    57    62   0.09800  1.0 3.0
   57    50    53    54   0.34800  1.0 3.0
   57    50    53    55   0.34800  1.0 3.0
   57    50    53    56   0.34800  1.0 3.0
   57    62    67    68   0.00000  1.0 1.0
   57    62    67    70   0.09850  1.0 1.0
   57    62    67    70   0.15250 -1.0 2.0
   57    62    67    70  -0.50650  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    67   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    67   0.15000  1.0 3.0
   62    67    70    73   7.00000 -1.0 2.0
   62    67    70    77   7.00000 -1.0 2.0
   63    62    67    68   0.33100  1.0 3.0
   63    62    67    70   0.00000  1.0 1.0
   64    62    67    68   0.33100  1.0 3.0
   64    62    67    70   0.00000  1.0 1.0
   67    70    73    74   0.00000  1.0 1.0
   67    70    73    75   0.00000  1.0 1.0
   67    70    73    76   0.00000  1.0 1.0
   67    70    77    78   0.00000  1.0 1.0
   67    70    77    79   0.00000  1.0 1.0
   67    70    77    80   0.00000  1.0 1.0
   68    67    70    73   7.00000 -1.0 2.0
   68    67    70    77   7.00000 -1.0 2.0
   73    70    77    78   0.34800  1.0 3.0
   73    70    77    79   0.34800  1.0 3.0
   73    70    77    80   0.34800  1.0 3.0
   77    70    73    74   0.34800  1.0 3.0
   77    70    73    75   0.34800  1.0 3.0
   77    70    73    76   0.34800  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
   36    30    34    35  10.50000 -1.0 2.0
   33    45    37    38  10.50000 -1.0 2.0
   48    69    45    37   4.00000 -1.0 2.0
   51    49    48    45   1.10000 -1.0 2.0
   60    52    51    48   1.10000 -1.0 2.0
   65    61    60    51   1.10000 -1.0 2.0
   69    66    65    60   1.10000 -1.0 2.0
   65    71    69    45   4.00000 -1.0 2.0
   69    39    71    72  10.50000 -1.0 2.0
   42    47    46    50  15.00000 -1.0 2.0
   53    57    50    46  15.00000 -1.0 2.0
   62    68    67    70  15.00000 -1.0 2.0
   73    77    70    67  15.00000 -1.0 2.0
END
