* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    156    224     454
    1     0 S   NP   _N1_     1    30.16699   101.27620   -20.15157
    2     1 S   H    _HN1     2     1.02791    93.89481   -96.69593
    3     1 S   H    _H1_     3     1.02947    46.64155    15.03261
    4     1 S   H    _H2_     4     1.02829    70.02281   155.68257
    5     1 S   CT   _CA1     5     1.50121   151.23011    58.74238
    6     5 S   HC   _HA1     6     1.09579   105.14853   145.22435
    7     5 S   CO3  _C1_     7     1.53766   112.47819    25.12318
    8     7 S   O2Z  _O11     8     1.26364   114.99830   -42.72170
    9     7 S   O2Z  _O12     9     1.26240   114.92724   136.24788
   10     5 S   CT   _CB1    10     1.53071   107.40133   -96.91577
   11    10 S   HC   HB11    11     1.09834   109.25442   -50.41027
   12    10 S   HC   HB12    12     1.09808   110.51498    66.18772
   13    10 S   CT   _CG1    13     1.52971   112.59501  -171.41103
   14    13 S   HC   HG11    14     1.09544   110.56124   -68.12950
   15    13 S   HC   HG12    15     1.09674   109.76523    51.06272
   16    13 S   C    _CD1    16     1.51811   112.22177   171.54825
   17    16 S   O    _OE1    17     1.22731   123.28419     9.73993
   18    16 S   N    _N2_    18     1.38633   111.67228  -170.18364
   19    18 S   H    _HN2    19     1.01577   118.85583     1.22780
   20    18 S   CT1  _CA2    20     1.46270   123.52340   176.69915
   21    20 S   HC   _HA2    21     1.09730   109.41665     5.60249
   22    20 S   C    _C2_    22     1.53606   108.58772  -109.93514
   23    22 S   O    _O2_    23     1.23066   122.28630  -147.43489
   24    20 S   CT   _CB2    32     1.53284   111.33000   127.78553
   25    24 S   HC   HB21    33     1.09585   109.74020    54.87558
   26    24 S   HC   HB22    34     1.09468   110.49954   173.88759
   27    22 S   N    _N3_    24     1.38326   113.76075    40.00650
   28    27 S   H    _HN3    25     1.01563   119.60565    -3.15889
   29    24 S   S    _SG2    35     1.82754   111.33723   -66.52148
   30    27 S   CT   _CA3    26     1.45291   123.27017   177.21681
   31    30 S   HC   HA31    27     1.09549   107.49662   -65.03119
   32    30 S   HC   HA32    28     1.09555   108.01155    51.42742
   33    29 S   CT   _C22    36     1.83936    99.75248   157.36464
   34    33 S   HC   _H3_    37     1.09288   107.09194   -47.41853
   35    30 S   CO3  _C3_    29     1.52978   114.03929   173.42073
   36    35 S   O2Z  _O31    30     1.26383   116.05868    -1.08264
   37    35 S   O2Z  _O32    31     1.26423   114.42736   178.98625
   38    33 S   CM   _C10    38     1.51127   107.35364  -166.53345
   39    38 S   HC   _H28    39     1.09190   114.69479   -82.13805
   40    33 S   CT   _C19    57     1.54298   110.78003    70.78592
   41    40 S   HC   _H46    58     1.09744   109.85176   -58.75719
   42    40 S   HC   _H47    59     1.09858   110.03944    58.05711
   43    38 S   CMA  _C11    40     1.35583   128.22934    99.45424
   44    43 S   OM   _O22    41     1.26137   126.91501   177.43738
   45    40 S   CT   _C16    60     1.53728   114.34085   179.59993
   46    45 S   HC   _H40    61     1.09645   110.08196   -63.89447
   47    45 S   HC   _H41    62     1.09703   108.58191  -179.45320
   48    43 S   NE   _N21    42     1.39520   120.78708    -3.58638
   49    48 S   H    _H54    43     1.01173   114.97731    -0.99760
   50    45 S   CM   _C9_    63     1.50219   112.93893    60.83939
   51    50 S   HC   _H27    64     1.08763   116.51768    64.32672
   52    48 S   CT   _C21    44     1.45743   129.35702  -176.79558
   53    52 S   HC   _H50    45     1.09719   109.78280    53.26482
   54    52 S   HC   _H51    46     1.09690   109.54215   -64.76510
   55    50 S   CM   _C8_    65     1.34140   123.35931  -115.55646
   56    55 S   HC   _H26    66     1.08781   119.47285     0.24787
   57    52 S   CT   _C23    47     1.54028   112.24513   173.89208
   58    57 S   HC   _H53    48     1.09826   106.75739  -178.54680
   59    55 S   CM   _C7_    67     1.44496   123.19153   179.28701
   60    59 S   HC   _H25    68     1.08788   117.20009     0.27124
   61    57 S   CT   _C13    49     1.53016   112.33517   -61.35322
   62    61 S   HC   _H32    50     1.09477   112.02426    67.20406
   63    61 S   HC   _H33    51     1.09536   110.48932  -172.91457
   64    61 S   HC   _H34    52     1.09505   110.79550   -53.63863
   65    57 S   CT   _C14    53     1.52923   112.30118    64.34957
   66    65 S   HC   _H35    54     1.09456   112.01664   -65.50678
   67    65 S   HC   _H36    55     1.09536   110.56416   174.42856
   68    65 S   HC   _H37    56     1.09458   110.58290    55.33275
   69    59 S   CM   _C6_    69     1.34011   122.85633  -179.23026
   70    69 S   HC   _H24    70     1.08590   120.96196    -0.15577
   71    69 S   CZ   _C4_    71     1.42079   121.46424   179.09259
   72    71 S   CZ   _C5_    72     1.20091   179.42939  -105.81979
   73    72 S   CT   _C15    73     1.46900   179.75055    27.54733
   74    73 S   HC   _H38    74     1.09642   109.47704  -105.03906
   75    73 S   HC   _H39    75     1.09642   109.49504   137.85172
   76    73 S   CT   _C18    76     1.52892   111.02578    16.39879
   77    76 S   HC   _H44    77     1.09787   109.74584    58.57832
   78    76 S   HC   _H45    78     1.09791   109.76322   -58.35001
   79    76 S   CT   _C20    79     1.52962   111.36611  -179.89347
   80    79 S   HC   _H48    80     1.09703   109.57250   -58.55172
   81    79 S   HC   _H49    81     1.09702   109.56725    58.73007
   82    79 S   CT   _C17    82     1.52873   111.32669  -179.91153
   83    82 S   HC   _H42    83     1.09643   109.87316   -58.86837
   84    82 S   HC   _H43    84     1.09642   109.86939    58.86832
   85    82 S   CT   _C12    85     1.52037   111.48535   180.00000
   86    85 S   HC   _H29    86     1.09490   111.00045   -60.24182
   87    85 S   HC   _H30    87     1.09488   110.99673    60.27816
   88    85 S   HC   _H31    88     1.09466   110.25467  -179.98022
  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
  13   7   2   1   1  10   4   9   5   4   7   3   7   4   3   8
   4   6   3  12   5   4   6   3   9   8   5   3   7   3   2   1
   3   2   1   1   4   2   5   7   9   5   4   9   5   4   9   5
   4   6   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    48    40    41    42    45    46    47    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    48    49    52    40    41    42    45  
   43    44    48    40  
   41    42    45    46    47    50    51    55    43  
   42    45    46    47    50  
   45    46    47    50  
   44    48    49    52    53    54    57  
   48    49    52  
   46    47    50    51    55    56    59  
   47    50    51    55  
   50    51    55  
   49    52    53    54    57    58    61    65  
   52    53    54    57  
   51    55    56    59    60    69  
   55    56    59  
   53    54    57    58    61    62    63    64    65    66    67    68  
   54    57    58    61    65  
   57    58    61    65  
   56    59    60    69    70    71  
   59    60    69  
   58    61    62    63    64    65    66    67    68  
   61    62    63    64    65    66    67    68  
   60    69    70    71    72  
   69    70    71  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73  
   71    72  
   72    73    74    75    76  
   73    74    75    76    77    78    79  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   72   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   73   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    48   415.000  1.382
   48    49   434.000  1.010
   48    52   382.000  1.448
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    65   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    56   340.000  1.080
   55    59   380.000  1.444
   59    60   340.000  1.080
   59    69   549.000  1.340
   69    70   340.000  1.080
   69    71   400.000  1.423
   71    72   985.000  1.221
   72    73   390.000  1.470
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    75.00000  114.40000
   43    38    39    40.00000  120.50800
   43    48    49    50.00000  121.48000
   43    48    52    50.00000  121.00000
   48    43    44   105.00000  113.92000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    57    80.00000  111.61500
   52    48    49    35.00000  112.50000
   52    57    58    37.50000  110.70000
   52    57    61    58.35000  112.70000
   52    57    65    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    68    37.50000  110.70000
   61    57    58    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    57    58    37.50000  110.70000
   65    57    61    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    70.00000  112.02700
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    50    51    35.00000  117.00000
   45    50    55    70.00000  124.00000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    55    56    35.00000  120.00000
   50    55    59    70.00000  123.01800
   55    50    51    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    69    70.00000  123.01800
   59    55    56    35.00000  120.00000
   59    69    70    35.00000  120.00000
   59    69    71    65.00000  121.28400
   69    59    60    35.00000  120.00000
   69    71    72    30.00000  178.29000
   71    69    70    40.00000  117.14900
   71    72    73    30.00000  179.48800
   72    73    74    35.00000  108.50000
   72    73    75    35.00000  108.50000
   72    73    76    58.35000  112.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    50   0.34400  1.0 1.0
   33    40    45    50   0.09450 -1.0 2.0
   33    40    45    50   0.11100  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45   0.34400  1.0 1.0
   38    33    40    45   0.09450 -1.0 2.0
   38    33    40    45   0.11100  1.0 3.0
   38    43    48    49   1.00000 -1.0 2.0
   38    43    48    52  -0.54700  1.0 1.0
   38    43    48    52   1.23000 -1.0 2.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    48   7.00000 -1.0 2.0
   43    48    52    53   0.00000  1.0 1.0
   43    48    52    54   0.00000  1.0 1.0
   43    48    52    57   0.25450  1.0 1.0
   43    48    52    57  -0.61700 -1.0 2.0
   43    48    52    57  -0.23550  1.0 3.0
   44    43    48    49   1.00000 -1.0 2.0
   44    43    48    52   1.00000 -1.0 2.0
   48    52    57    58   0.22950  1.0 3.0
   48    52    57    61   1.26750  1.0 1.0
   48    52    57    61  -0.00950 -1.0 2.0
   48    52    57    61   0.30600  1.0 3.0
   48    52    57    65   1.26750  1.0 1.0
   48    52    57    65  -0.00950 -1.0 2.0
   48    52    57    65   0.30600  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   49    48    52    57   0.00000  1.0 1.0
   52    57    61    62   0.15000  1.0 3.0
   52    57    61    63   0.15000  1.0 3.0
   52    57    61    64   0.15000  1.0 3.0
   52    57    65    66   0.15000  1.0 3.0
   52    57    65    67   0.15000  1.0 3.0
   52    57    65    68   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    61   0.15000  1.0 3.0
   53    52    57    65   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    61   0.15000  1.0 3.0
   54    52    57    65   0.15000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    68   0.15000  1.0 3.0
   61    57    65    66   0.15000  1.0 3.0
   61    57    65    67   0.15000  1.0 3.0
   61    57    65    68   0.15000  1.0 3.0
   65    57    61    62   0.15000  1.0 3.0
   65    57    61    63   0.15000  1.0 3.0
   65    57    61    64   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    50    51   0.00000  1.0 1.0
   40    45    50    55   0.09850  1.0 1.0
   40    45    50    55   0.15250 -1.0 2.0
   40    45    50    55  -0.50650  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    50   0.15000  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    50   0.15000  1.0 3.0
   45    50    55    56   7.00000 -1.0 2.0
   45    50    55    59   7.00000 -1.0 2.0
   46    45    50    51   0.33100  1.0 3.0
   46    45    50    55   0.00000  1.0 1.0
   47    45    50    51   0.33100  1.0 3.0
   47    45    50    55   0.00000  1.0 1.0
   50    55    59    60  -0.18600  1.0 3.0
   50    55    59    69   0.28850  1.0 1.0
   50    55    59    69   2.61350 -1.0 2.0
   50    55    59    69   0.78400  1.0 3.0
   51    50    55    56   7.00000 -1.0 2.0
   51    50    55    59   7.00000 -1.0 2.0
   55    59    69    70   7.00000 -1.0 2.0
   55    59    69    71   7.00000 -1.0 2.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    69  -0.18600  1.0 3.0
   59    69    71    72   0.00000  1.0 1.0
   60    59    69    70   7.00000 -1.0 2.0
   60    59    69    71   7.00000 -1.0 2.0
   69    71    72    73   0.00000  1.0 1.0
   70    69    71    72   0.00000  1.0 1.0
   71    72    73    74   0.00000  1.0 1.0
   71    72    73    75   0.00000  1.0 1.0
   71    72    73    76   0.00000  1.0 1.0
   72    73    76    77   0.15000  1.0 3.0
   72    73    76    78   0.15000  1.0 3.0
   72    73    76    79  -0.74000  1.0 1.0
   72    73    76    79   0.24050 -1.0 2.0
   72    73    76    79   0.24650  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   0.56750  1.0 1.0
   73    76    79    82  -0.07550 -1.0 2.0
   73    76    79    82   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   76    79    82    84   0.15000  1.0 3.0
   76    79    82    85   0.56750  1.0 1.0
   76    79    82    85  -0.07550 -1.0 2.0
   76    79    82    85   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  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    43  15.00000 -1.0 2.0
   48    44    43    38  15.00000 -1.0 2.0
   49    43    48    52   1.00000 -1.0 2.0
   45    51    50    55  15.00000 -1.0 2.0
   59    56    55    50  15.00000 -1.0 2.0
   55    60    59    69  15.00000 -1.0 2.0
   71    70    69    59  15.00000 -1.0 2.0
END
