* LIGAND DATABASE FILE (OPLS2005)
*
001      93    93    170    251     503
    1     0 S   NP   _N1_     1    31.49542    89.50630   -22.96143
    2     1 S   H    _HN1     2     1.02957    85.53111    92.68509
    3     1 S   H    _H1_     3     1.02716    38.85761   -32.45063
    4     1 S   H    _H2_     4     1.03254   146.65652   -21.80618
    5     1 S   CT   _CA1     5     1.50176    90.73785  -157.10735
    6     5 S   HC   _HA1     6     1.09558   105.36368    87.09248
    7     5 S   CO3  _C1_     7     1.53618   112.87364   -33.65875
    8     7 S   O2Z  _O11     8     1.26380   115.08876   -40.48458
    9     7 S   O2Z  _O12     9     1.26260   114.96371   138.82932
   10     5 S   CT   _CB1    10     1.52655   106.81614  -155.23777
   11    10 S   HC   HB11    11     1.09717   108.70693   -53.54810
   12    10 S   HC   HB12    12     1.09817   110.09133    62.30306
   13    10 S   CT   _CG1    13     1.53057   114.13724  -174.44342
   14    13 S   HC   HG11    14     1.09526   111.30247   -78.38110
   15    13 S   HC   HG12    15     1.09572   111.00061    41.91665
   16    13 S   C    _CD1    16     1.51391   108.87432   160.71849
   17    16 S   O    _OE1    17     1.22838   121.94498  -108.15316
   18    16 S   N    _N2_    18     1.38424   112.81530    69.09037
   19    18 S   H    _HN2    19     1.01588   119.38302     6.72791
   20    18 S   CT1  _CA2    20     1.45601   122.07896  -166.03208
   21    20 S   HC   _HA2    21     1.09512   107.59088    34.00179
   22    20 S   C    _C2_    22     1.53021   110.93372   -82.37776
   23    22 S   O    _O2_    23     1.23135   121.00231   156.26600
   24    20 S   CT   _CB2    32     1.53337   112.08661   156.07797
   25    24 S   HC   HB21    33     1.09702   109.41783    71.85439
   26    24 S   HC   HB22    34     1.09567   110.51830  -172.18094
   27    22 S   N    _N3_    24     1.38138   114.44817   -31.33802
   28    27 S   H    _HN3    25     1.01633   119.48648     6.18735
   29    24 S   S    _SG2    35     1.83289   116.18032   -47.19227
   30    27 S   CT   _CA3    26     1.45281   122.94653  -176.38822
   31    30 S   HC   HA31    27     1.09559   107.60402   -60.47737
   32    30 S   HC   HA32    28     1.09563   107.82735    55.86533
   33    29 S   CT   _C11    36     1.84594   102.49589   -57.67515
   34    33 S   HC   _H5_    37     1.09449   107.75432    61.14155
   35    30 S   CO3  _C3_    29     1.52892   114.26476   177.80118
   36    35 S   O2Z  _O31    30     1.26341   116.07066     0.57912
   37    35 S   O2Z  _O32    31     1.26438   114.41182  -179.39899
   38    33 S   CM   _C12    38     1.50782   109.93529   -60.31195
   39    38 S   HC   _H18    39     1.08868   117.23367   -64.81401
   40    33 S   CM   _C10    68     1.51611   106.72607   179.82754
   41    40 S   HC   _H17    69     1.09067   114.71855    56.63571
   42    38 S   CM   _C13    40     1.34338   123.90161   115.21657
   43    42 S   HC   _H19    41     1.08640   118.97689    -0.85592
   44    42 S   CT   _C14    42     1.50571   123.73405  -179.27719
   45    44 S   HC   _H20    43     1.09706   109.30708    -7.16292
   46    44 S   HC   _H21    44     1.09681   108.29884   108.70021
   47    44 S   CT   _C15    45     1.53971   114.59057  -129.39635
   48    47 S   HC   _H6_    46     1.09763   108.95020   176.00012
   49    47 S   OS   _O33    47     1.44216   110.43941    55.77026
   50    47 S   CT   _C22    90     1.52576   113.08199   -64.52935
   51    50 S   HC   _H29    91     1.09475   111.81543    67.33393
   52    50 S   HC   _H30    92     1.09408   111.38648   -54.98360
   53    50 S   HC   _H31    93     1.09582   109.91179  -175.10391
   54    49 S   CO4  _C16    48     1.36431   117.86162    81.05164
   55    54 S   O    _O34    49     1.22289   125.94434     4.12198
   56    54 S   CT   _C17    50     1.51438   108.92362  -176.80898
   57    56 S   HC   _H22    51     1.09573   107.45207   -90.38145
   58    56 S   HC   _H23    52     1.09109   106.60409    24.99495
   59    56 S   CT   _C18    53     1.53538   111.24927   146.79322
   60    59 S   HC   _H7_    54     1.09628   111.16732   -22.96385
   61    59 S   CT   _C19    55     1.55638   114.97816  -146.87637
   62    61 S   HC   _H8_    56     1.09577   109.66901   -68.24162
   63    59 S   OH   _O37    88     1.43431   106.56526    91.49010
   64    63 S   HO   _H28    89     0.97243   107.99334    66.25188
   65    61 S   CT   _C20    57     1.55451   112.93322    54.72714
   66    65 S   HC   _H9_    58     1.09303   110.04281   -65.24682
   67    61 S   OS   _O36    83     1.44357   109.35336   171.84958
   68    65 S   CT   _C6_    59     1.55423   116.26233   172.07893
   69    68 S   HC   _H3_    60     1.09902   108.13794   -73.09790
   70    65 S   OH   _O35    81     1.42930   106.53575    50.70415
   71    70 S   HO   _H24    82     0.97316   107.28881    61.33052
   72    67 S   CT   _C21    84     1.41973   114.91137    85.03663
   73    72 S   HC   _H25    85     1.09374   107.89504   166.19190
   74    72 S   HC   _H26    86     1.09384   111.44740    47.48070
   75    72 S   HC   _H27    87     1.09156   111.01971   -76.13855
   76    68 S   CT   _C7_    61     1.56087   113.10624   169.44052
   77    76 S   HC   _H15    62     1.09555   109.03303   -59.56125
   78    76 S   HC   _H16    63     1.09894   106.57766  -172.65923
   79    68 S   CT   _C5_    74     1.55054   113.35279    44.95753
   80    79 S   HC   _H13    75     1.09770   108.91838  -176.54957
   81    79 S   HC   _H14    76     1.09463   109.90900   -61.88982
   82    76 S   CT   _C8_    64     1.56035   116.96892    66.85091
   83    82 S   HC   _H4_    65     1.09915   106.62947    24.44079
   84    79 S   CT   _C4_    77     1.52372   115.35514    61.53539
   85    84 S   HC   _H10    78     1.09319   111.98262   -57.04179
   86    84 S   HC   _H11    79     1.09508   109.74675  -176.55054
   87    84 S   HC   _H12    80     1.09365   111.55093    64.65097
   88    82 S   CMA  _C9_    66     1.55653   116.45444   -97.40325
   89    88 S   OM   _O38    67     1.26297   113.01449   -52.57527
   90    82 S   CT   _C23    70     1.54401   109.69592   137.11238
   91    90 S   HC   _H32    71     1.09523   111.77016    57.66088
   92    90 S   HC   _H33    72     1.09588   110.33982   -61.96452
   93    90 S   HC   _H34    73     1.09576   111.24036   178.91142
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  11   6   2   1   1  10   4   8   3   8   4  10   5   4   9   6
  10   4   2   1   1   8   4  10   5   4  11   6  16   7   3   1
  15   7   6  17   9   3   1   3   2   1   1  14   6   5   7   5
   4   7   6   3   2   1   1   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    88    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    82    88    89    40    41  
   38    39    42    88    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    46    47    88    40    41  
   42    43    44    40  
   41    90    42    76    82    83    88    89  
   82    88    89  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    54    50    51    52    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    54    55    56    50    51    52    53  
   49    54    50    51    52    53  
   54    55    56    57    58    59    50    51    52    53  
   51    52    53    54  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61    63  
   56    57    58    59  
   57    58    59    60    61    62    65    67    63    64  
   58    59    60    61    63  
   59    60    61    63  
   60    61    62    65    66    68    70    67    72    63    64  
   61    62    65    67    63    64  
   62    65    66    68    69    76    79    70    71    67    72    73    74    75    63    64  
   65    66    68    70    67    72    63  
   64    65    67  
    0  
   66    68    69    76    77    78    82    79    80    81    84    70    71    67    72  
   68    69    76    79    70    71    67  
   72    73    74    75    68    70  
   69    76    77    78    82    83    88    90    79    80    81    84    85    86    87    70    71  
   76    77    78    82    79    80    81    84    70  
   71    76    79  
    0  
   73    74    75  
   74    75  
   75  
    0  
   77    78    82    83    88    89    90    91    92    93    79    80    81    84  
   78    82    83    88    90    79  
   82    83    88    90    79  
   80    81    84    85    86    87    82  
   81    84    85    86    87  
   84    85    86    87  
   83    88    89    90    91    92    93  
   88    89    90    91    92    93  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91    92    93  
   90  
   91    92    93  
   92    93  
   93  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   89   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   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   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    44   317.000  1.510
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   320.000  1.410
   47    50   268.000  1.529
   49    54   214.000  1.327
   54    55   570.000  1.229
   54    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   320.000  1.410
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    67   320.000  1.410
   65    66   340.000  1.090
   65    68   268.000  1.529
   65    70   320.000  1.410
   68    69   340.000  1.090
   68    76   268.000  1.529
   68    79   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    88   270.000  1.512
   82    90   268.000  1.529
   88    89   745.000  1.250
   88    40   465.000  1.376
   40    41   340.000  1.080
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   70    71   553.000  0.945
   67    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   63    64   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    88    70.00000  124.00000
   33    40    41    35.00000  117.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    47    70.00000  112.02700
   44    42    43    35.00000  117.00000
   44    47    48    37.50000  110.70000
   44    47    49    50.00000  109.50000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    54    83.00000  116.90000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    37.50000  110.70000
   49    47    48    35.00000  109.50000
   49    54    55    83.00000  123.40000
   49    54    56    81.00000  111.40000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    59    63.00000  111.10000
   56    54    55    80.00000  120.40000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    63    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    65    58.35000  112.70000
   59    61    67    50.00000  109.50000
   59    63    64    55.00000  108.50000
   61    59    60    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    68    58.35000  112.70000
   61    65    70    50.00000  109.50000
   61    67    72    60.00000  109.50000
   65    61    62    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    76    58.35000  112.70000
   65    68    79    58.35000  112.70000
   65    70    71    55.00000  108.50000
   68    65    66    37.50000  110.70000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    82    58.35000  112.70000
   68    79    80    37.50000  110.70000
   68    79    81    37.50000  110.70000
   68    79    84    58.35000  112.70000
   76    68    69    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    88    70.00000  112.02700
   76    82    90    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    88    89    85.00000  112.85300
   82    88    40    65.00000  122.18000
   82    90    91    37.50000  110.70000
   82    90    92    37.50000  110.70000
   82    90    93    37.50000  110.70000
   88    82    83    45.00000  110.52000
   88    40    41    40.00000  120.50800
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    88    89    65.00000  137.10300
   90    82    83    37.50000  110.70000
   90    82    88    70.00000  112.02700
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   79    68    69    37.50000  110.70000
   79    68    76    58.35000  112.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    37.50000  110.70000
   81    79    80    33.00000  107.80000
   84    79    80    37.50000  110.70000
   84    79    81    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    68    50.00000  109.50000
   67    61    62    35.00000  109.50000
   67    61    65    50.00000  109.50000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   63    59    60    35.00000  109.50000
   63    59    61    50.00000  109.50000
   50    47    48    37.50000  110.70000
   50    47    49    50.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    88   0.42700  1.0 1.0
   29    33    40    88  -0.70350 -1.0 2.0
   29    33    40    88  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    88   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   38    33    40    88  -0.28300  1.0 1.0
   38    33    40    88   0.26700 -1.0 2.0
   38    33    40    88  -0.63300  1.0 3.0
   38    33    40    41   0.00000  1.0 1.0
   38    42    44    45   0.00000  1.0 1.0
   38    42    44    46   0.00000  1.0 1.0
   38    42    44    47   0.09850  1.0 1.0
   38    42    44    47   0.15250 -1.0 2.0
   38    42    44    47  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    44   7.00000 -1.0 2.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.61850  1.0 1.0
   42    44    47    49  -0.22750 -1.0 2.0
   42    44    47    49   0.15300  1.0 3.0
   42    44    47    50   0.34400  1.0 1.0
   42    44    47    50   0.09450 -1.0 2.0
   42    44    47    50   0.11100  1.0 3.0
   43    42    44    45   0.33100  1.0 3.0
   43    42    44    46   0.33100  1.0 3.0
   43    42    44    47   0.00000  1.0 1.0
   44    47    49    54  -0.25900  1.0 1.0
   44    47    49    54  -0.47000 -1.0 2.0
   44    47    49    54   0.11750  1.0 3.0
   44    47    50    51   0.15000  1.0 3.0
   44    47    50    52   0.15000  1.0 3.0
   44    47    50    53   0.15000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.23400  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.23400  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    49    54    55   3.00000 -1.0 2.0
   47    49    54    56   1.63150  1.0 1.0
   47    49    54    56   2.92000 -1.0 2.0
   48    47    49    54   0.08050  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.23400  1.0 3.0
   49    47    50    52   0.23400  1.0 3.0
   49    47    50    53   0.23400  1.0 3.0
   49    54    56    57   0.00000  1.0 1.0
   49    54    56    58   0.00000  1.0 1.0
   49    54    56    59   0.36750  1.0 3.0
   54    56    59    60  -0.11250  1.0 3.0
   54    56    59    61  -0.95700  1.0 1.0
   54    56    59    61  -0.18200 -1.0 2.0
   54    56    59    61   0.29450  1.0 3.0
   54    56    59    63  -0.09450  1.0 1.0
   54    56    59    63  -1.12950 -1.0 2.0
   54    56    59    63   0.54000  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    59   0.30150 -1.0 2.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    65   0.56750  1.0 1.0
   56    59    61    65  -0.07550 -1.0 2.0
   56    59    61    65   0.20000  1.0 3.0
   56    59    61    67   0.62750  1.0 1.0
   56    59    61    67  -0.30950 -1.0 2.0
   56    59    61    67   0.27300  1.0 3.0
   56    59    63    64  -0.11600  1.0 1.0
   56    59    63    64  -0.09450 -1.0 2.0
   56    59    63    64   0.21250  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    63   0.23400  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    63   0.23400  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61    65    68   0.56750  1.0 1.0
   59    61    65    68  -0.07550 -1.0 2.0
   59    61    65    68   0.20000  1.0 3.0
   59    61    65    70   0.86500  1.0 1.0
   59    61    65    70  -0.17500 -1.0 2.0
   59    61    65    70   0.20800  1.0 3.0
   59    61    67    72   0.06250  1.0 1.0
   59    61    67    72  -0.01100 -1.0 2.0
   59    61    67    72   0.28050  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    61    67   0.23400  1.0 3.0
   60    59    63    64   0.19450  1.0 3.0
   61    59    63    64  -0.11600  1.0 1.0
   61    59    63    64  -0.09450 -1.0 2.0
   61    59    63    64   0.21250  1.0 3.0
   61    65    68    69   0.15000  1.0 3.0
   61    65    68    76   0.56750  1.0 1.0
   61    65    68    76  -0.07550 -1.0 2.0
   61    65    68    76   0.20000  1.0 3.0
   61    65    68    79   0.56750  1.0 1.0
   61    65    68    79  -0.07550 -1.0 2.0
   61    65    68    79   0.20000  1.0 3.0
   61    65    70    71  -0.11600  1.0 1.0
   61    65    70    71  -0.09450 -1.0 2.0
   61    65    70    71   0.21250  1.0 3.0
   61    67    72    73   0.37050  1.0 3.0
   61    67    72    74   0.37050  1.0 3.0
   61    67    72    75   0.37050  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61    65    70   0.23400  1.0 3.0
   62    61    67    72   0.37050  1.0 3.0
   65    61    67    72   0.06250  1.0 1.0
   65    61    67    72  -0.01100 -1.0 2.0
   65    61    67    72   0.28050  1.0 3.0
   65    68    76    77   0.15000  1.0 3.0
   65    68    76    78   0.15000  1.0 3.0
   65    68    76    82   0.56750  1.0 1.0
   65    68    76    82  -0.07550 -1.0 2.0
   65    68    76    82   0.20000  1.0 3.0
   65    68    79    80   0.15000  1.0 3.0
   65    68    79    81   0.15000  1.0 3.0
   65    68    79    84   0.56750  1.0 1.0
   65    68    79    84  -0.07550 -1.0 2.0
   65    68    79    84   0.20000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    76   0.15000  1.0 3.0
   66    65    68    79   0.15000  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   68    65    70    71  -0.11600  1.0 1.0
   68    65    70    71  -0.09450 -1.0 2.0
   68    65    70    71   0.21250  1.0 3.0
   68    76    82    83   0.15000  1.0 3.0
   68    76    82    88   0.34400  1.0 1.0
   68    76    82    88   0.09450 -1.0 2.0
   68    76    82    88   0.11100  1.0 3.0
   68    76    82    90   0.56750  1.0 1.0
   68    76    82    90  -0.07550 -1.0 2.0
   68    76    82    90   0.20000  1.0 3.0
   68    79    84    85   0.15000  1.0 3.0
   68    79    84    86   0.15000  1.0 3.0
   68    79    84    87   0.15000  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    78   0.15000  1.0 3.0
   69    68    76    82   0.15000  1.0 3.0
   69    68    79    80   0.15000  1.0 3.0
   69    68    79    81   0.15000  1.0 3.0
   69    68    79    84   0.15000  1.0 3.0
   76    68    79    80   0.15000  1.0 3.0
   76    68    79    81   0.15000  1.0 3.0
   76    68    79    84   0.56750  1.0 1.0
   76    68    79    84  -0.07550 -1.0 2.0
   76    68    79    84   0.20000  1.0 3.0
   76    82    88    89   0.09700  1.0 1.0
   76    82    88    89   0.15600 -1.0 2.0
   76    82    88    89  -0.50800  1.0 3.0
   76    82    88    40   0.09850  1.0 1.0
   76    82    88    40   0.15250 -1.0 2.0
   76    82    88    40  -0.50650  1.0 3.0
   76    82    90    91   0.15000  1.0 3.0
   76    82    90    92   0.15000  1.0 3.0
   76    82    90    93   0.15000  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    88   0.15000  1.0 3.0
   77    76    82    90   0.15000  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    88   0.15000  1.0 3.0
   78    76    82    90   0.15000  1.0 3.0
   82    88    40    33   7.00000 -1.0 2.0
   82    88    40    41   7.00000 -1.0 2.0
   83    82    88    89   0.00000  1.0 1.0
   83    82    88    40   0.00000  1.0 1.0
   83    82    90    91   0.15000  1.0 3.0
   83    82    90    92   0.15000  1.0 3.0
   83    82    90    93   0.15000  1.0 3.0
   88    82    90    91   0.15000  1.0 3.0
   88    82    90    92   0.15000  1.0 3.0
   88    82    90    93   0.15000  1.0 3.0
   89    88    40    33   7.00000 -1.0 2.0
   89    88    40    41   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   90    82    88    89   0.09700  1.0 1.0
   90    82    88    89   0.15600 -1.0 2.0
   90    82    88    89  -0.50800  1.0 3.0
   90    82    88    40   0.09850  1.0 1.0
   90    82    88    40   0.15250 -1.0 2.0
   90    82    88    40  -0.50650  1.0 3.0
   79    68    76    77   0.15000  1.0 3.0
   79    68    76    78   0.15000  1.0 3.0
   79    68    76    82   0.56750  1.0 1.0
   79    68    76    82  -0.07550 -1.0 2.0
   79    68    76    82   0.20000  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    87   0.15000  1.0 3.0
   81    79    84    85   0.15000  1.0 3.0
   81    79    84    86   0.15000  1.0 3.0
   81    79    84    87   0.15000  1.0 3.0
   70    65    68    69   0.23400  1.0 3.0
   70    65    68    76   0.86500  1.0 1.0
   70    65    68    76  -0.17500 -1.0 2.0
   70    65    68    76   0.20800  1.0 3.0
   70    65    68    79   0.86500  1.0 1.0
   70    65    68    79  -0.17500 -1.0 2.0
   70    65    68    79   0.20800  1.0 3.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    68   0.62750  1.0 1.0
   67    61    65    68  -0.30950 -1.0 2.0
   67    61    65    68   0.27300  1.0 3.0
   67    61    65    70   3.69350  1.0 1.0
   67    61    65    70  -1.82950 -1.0 2.0
   63    59    61    62   0.23400  1.0 3.0
   63    59    61    65   0.86500  1.0 1.0
   63    59    61    65  -0.17500 -1.0 2.0
   63    59    61    65   0.20800  1.0 3.0
   63    59    61    67   3.69350  1.0 1.0
   63    59    61    67  -1.82950 -1.0 2.0
   50    47    49    54  -0.25900  1.0 1.0
   50    47    49    54  -0.47000 -1.0 2.0
   50    47    49    54   0.11750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   49    56    54    55  10.50000 -1.0 2.0
   82    89    88    40   1.10000 -1.0 2.0
   33    41    40    88   1.10000 -1.0 2.0
END
