* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    167    248     472
    1     0 S   NP   _N1_     1    28.66303    95.36541   -25.85383
    2     1 S   H    _HN1     2     1.02946    71.82669    14.68795
    3     1 S   H    _H1_     3     1.02826    35.36480  -170.02386
    4     1 S   H    _H2_     4     1.02795   117.06409   -87.14164
    5     1 S   CT   _CA1     5     1.50123   126.87958   116.97314
    6     5 S   HC   _HA1     6     1.09574   105.15521    95.53401
    7     5 S   CO3  _C1_     7     1.53760   112.51140   -24.66554
    8     7 S   O2Z  _O11     8     1.26374   115.00261   -41.61643
    9     7 S   O2Z  _O12     9     1.26237   114.94021   137.42719
   10     5 S   CT   _CB1    10     1.53061   107.41059  -146.48866
   11    10 S   HC   HB11    11     1.09842   109.30144   -49.37017
   12    10 S   HC   HB12    12     1.09810   110.47969    67.21546
   13    10 S   CT   _CG1    13     1.53028   112.66183  -170.30994
   14    13 S   HC   HG11    14     1.09567   110.75123   -67.99698
   15    13 S   HC   HG12    15     1.09670   109.68067    51.25734
   16    13 S   C    _CD1    16     1.51811   111.95658   171.74155
   17    16 S   O    _OE1    17     1.22755   123.16970    13.38340
   18    16 S   N    _N2_    18     1.38655   111.85812  -166.62053
   19    18 S   H    _HN2    19     1.01573   118.94949     1.17337
   20    18 S   CT1  _CA2    20     1.46226   123.33715   176.01911
   21    20 S   HC   _HA2    21     1.09737   109.34813     7.47719
   22    20 S   C    _C2_    22     1.53676   108.67391  -108.02761
   23    22 S   O    _O2_    23     1.23075   122.24459  -147.66999
   24    20 S   CT   _CB2    32     1.53382   111.63471   129.60682
   25    24 S   HC   HB21    33     1.09442   109.79945    56.99042
   26    24 S   HC   HB22    34     1.09470   109.71566   175.73070
   27    22 S   N    _N3_    24     1.38306   113.83321    39.73072
   28    27 S   H    _HN3    25     1.01544   119.64116    -2.97058
   29    24 S   S    _SG2    35     1.82858   111.34876   -65.00837
   30    27 S   CT   _CA3    26     1.45289   123.30886   177.33523
   31    30 S   HC   HA31    27     1.09546   107.48582   -65.55741
   32    30 S   HC   HA32    28     1.09554   108.03673    50.91922
   33    29 S   CT   _C15    36     1.86259   101.41829   168.02525
   34    30 S   CO3  _C3_    29     1.52987   114.00888   172.92840
   35    34 S   O2Z  _O31    30     1.26389   116.06354    -0.83110
   36    34 S   O2Z  _O32    31     1.26422   114.42587   179.23434
   37    33 S   CM   _C4_    37     1.52501   107.03553   176.47574
   38    33 S   CT   _C19    86     1.53324   110.83580    52.06359
   39    38 S   HC   _H40    87     1.09541   111.62768   -71.18290
   40    38 S   HC   _H41    88     1.09620   111.56857   169.82301
   41    38 S   HC   _H42    89     1.09603   112.01631    50.02100
   42    37 S   CMA  _C5_    38     1.35098   112.49531    99.15560
   43    42 S   OM   _O22    39     1.25724   135.43058  -178.32965
   44    37 S   CT   _C23    72     1.50747   122.29636   -77.46251
   45    44 S   HC   _H52    73     1.09526   109.74044   141.02776
   46    44 S   HC   _H53    74     1.09668   109.91523    26.85718
   47    42 S   CT   _C11    40     1.51325   110.13656     0.39366
   48    47 S   HC   _H29    41     1.09643   112.51779   136.96639
   49    47 S   HC   _H30    42     1.09777   109.87843  -101.46790
   50    44 S   CM   _C7_    75     1.50329   112.76435   -94.12161
   51    50 S   HC   _H27    76     1.08817   115.67142    69.96556
   52    33 S   CT   _C14    43     1.55162   110.71279   -74.18474
   53    52 S   HC   _H33    44     1.09538   112.96174    34.74563
   54    50 S   CM   _C8_    77     1.34246   127.70864  -111.59086
   55    54 S   HC   _H28    78     1.08903   117.07248  -179.23051
   56    52 S   OS   _O24    45     1.44887   109.44179   155.39946
   57    54 S   CT   _C24    79     1.50016   127.69809     1.90834
   58    57 S   HC   _H54    80     1.09308   112.30685     8.72875
   59    57 S   HC   _H55    81     1.09632   108.39932   125.91585
   60    56 S   CO4  _C10    46     1.35864   117.60060  -164.84196
   61    60 S   O    _O23    47     1.22226   126.97238     2.31832
   62    57 S   CT   _C22    82     1.52085   111.24850  -113.91762
   63    62 S   HC   _H49    83     1.09532   111.30119   -58.80662
   64    62 S   HC   _H50    84     1.09474   110.18988  -178.49676
   65    62 S   HC   _H51    85     1.09530   111.12709    61.82782
   66    60 S   C3T  _C13    48     1.47962   110.92143  -179.38770
   67    66 S   HC   _H32    49     1.08693   112.50987   -85.31594
   68    66 S   C3T  _C12    50     1.51501   119.53171   131.96238
   69    68 S   HC   _H31    51     1.08702   116.51776    -3.74005
   70    66 S   C3T  _C16    52     1.52090   121.66085    60.90090
   71    68 S   CM   _C6_    61     1.47039   118.98078   137.06905
   72    71 S   HC   _H26    62     1.08887   115.08350   -28.92401
   73    70 S   CT   _C20    53     1.51046   120.31266     3.31375
   74    73 S   HC   _H43    54     1.09504   110.42935   -81.65648
   75    73 S   HC   _H44    55     1.09520   110.12699   158.93053
   76    73 S   HC   _H45    56     1.09483   112.45058    39.17795
   77    70 S   CT   _C21    57     1.51002   116.69916  -140.06329
   78    77 S   HC   _H46    58     1.09532   110.09265    90.14411
   79    77 S   HC   _H47    59     1.09502   112.63465   -29.63193
   80    77 S   HC   _H48    60     1.09496   110.36584  -150.51146
   81    71 S   CM   _C9_    63     1.34711   127.30818   151.93386
   82    81 S   CT   _C17    64     1.50325   121.23133   179.83449
   83    82 S   HC   _H34    65     1.09490   110.23788   120.16270
   84    82 S   HC   _H35    66     1.09488   110.26284  -120.01625
   85    82 S   HC   _H36    67     1.09506   112.33243     0.09279
   86    81 S   CT   _C18    68     1.50264   123.70170    -0.25488
   87    86 S   HC   _H37    69     1.09500   110.13966   121.47101
   88    86 S   HC   _H38    70     1.09494   110.11907  -118.98890
   89    86 S   HC   _H39    71     1.09369   113.00621     1.33046
  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
  18   2   1   1  18   9   3   2   1  11   5   9   4   3   6   4
   3   7   3   5   2   8   4   6   6   5   4   9   4   3   2   1
   1  15   6  15   6  11  12   3   7   3   2   1   3   2   1   1
   8   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    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    47    52    53    56    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    48    49    52    53    56    60    44    45    46    50    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    48    49    52    53    56    44    45    46    50    51    54    38    39    40    41  
   39    40    41    42    44    47    52    53    56  
   40    41    52  
   41    52  
   52  
   43    47    48    49    52    53    56    44    45    46    50  
   47    48    49    52    44  
   45    46    50    51    54    55    57    47    52  
   46    50    51    54  
   50    51    54  
   48    49    52    53    56    60  
   49    52    53    56  
   52    53    56  
   51    54    55    57    58    59    62  
   54    55    57  
   53    56    60    61    66  
   56    60  
   55    57    58    59    62    63    64    65  
   57    58    59    62  
   60    61    66    67    68    70  
   58    59    62    63    64    65  
   59    62    63    64    65  
   62    63    64    65  
   61    66    67    68    69    70    73    77    71  
   66    67    68    70  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    73    74    75    76    77    78    79    80    71    72    81  
   68    69    70    73    77    71  
   69    70    73    74    75    76    77    78    79    80    71    72    81    82    86  
   70    73    77    71    72    81  
   73    74    75    76    77    78    79    80    71    72    81  
   72    81    82    83    84    85    86    87    88    89    73    77  
   81    82    86  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   89   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  1.510
   33    52   268.000  1.529
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    56   320.000  1.410
   56    60   214.000  1.327
   60    61   570.000  1.229
   60    66   290.000  1.496
   66    67   340.000  1.088
   66    68   260.000  1.509
   66    70   260.000  1.509
   68    69   340.000  1.088
   68    70   260.000  1.509
   68    71   305.000  1.480
   70    73   275.000  1.510
   70    77   275.000  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
   71    72   340.000  1.080
   71    81   549.000  1.340
   81    82   317.000  1.510
   81    86   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   317.000  1.510
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    57   317.000  1.510
   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    65   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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  112.20000
   29    33    52    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    52    47    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    56    50.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    65.00000  122.18000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    50    70.00000  110.12100
   42    47    48    45.00000  110.52000
   42    47    49    45.00000  110.52000
   42    47    52    70.00000  112.02700
   47    42    43    85.00000  112.85300
   47    52    53    37.50000  110.70000
   47    52    56    50.00000  109.50000
   49    47    48    33.00000  107.80000
   52    33    37    70.00000  112.02700
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    56    60    83.00000  116.90000
   56    52    53    35.00000  109.50000
   56    60    61    83.00000  123.40000
   56    60    66    81.00000  111.40000
   60    66    67    40.00000  116.18000
   60    66    68    65.00000  117.18000
   60    66    70    65.00000  117.18000
   66    60    61    75.00000  121.36600
   66    68    69    37.50000  117.20000
   66    68    70    10.00000   60.00500
   66    68    71    60.00000  120.58800
   66    70    68    10.00000   60.00500
   66    70    73    60.00000  120.94000
   66    70    77    60.00000  120.94000
   68    66    67    37.50000  117.20000
   68    70    73    60.00000  120.94000
   68    70    77    60.00000  120.94000
   68    71    72    40.00000  117.24000
   68    71    81    55.00000  125.06700
   70    66    67    37.50000  117.20000
   70    66    68    10.00000   60.00500
   70    68    69    37.50000  117.20000
   70    73    74    45.00000  109.38400
   70    73    75    45.00000  109.38400
   70    73    76    45.00000  109.38400
   70    77    78    45.00000  109.38400
   70    77    79    45.00000  109.38400
   70    77    80    45.00000  109.38400
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    70    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   71    68    69    40.00000  112.45000
   71    68    70    60.00000  120.58800
   71    81    82    70.00000  124.00000
   71    81    86    70.00000  124.00000
   81    71    72    35.00000  120.00000
   81    82    83    35.00000  109.50000
   81    82    84    35.00000  109.50000
   81    82    85    35.00000  109.50000
   81    86    87    35.00000  109.50000
   81    86    88    35.00000  109.50000
   81    86    89    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    81    82    65.00000  117.92700
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    50    51    35.00000  117.00000
   44    50    54    70.00000  124.00000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    54    55    35.00000  120.00000
   50    54    57    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    70.00000  112.02700
   57    54    55    35.00000  117.00000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    37.50000  110.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    52    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37   -42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    50   0.09700  1.0 1.0
   33    37    44    50   0.15600 -1.0 2.0
   33    37    44    50  -0.50800  1.0 3.0
   33    52    56    60  -0.25900  1.0 1.0
   33    52    56    60  -0.47000 -1.0 2.0
   33    52    56    60   0.11750  1.0 3.0
   37    33   -52    47   0.34400  1.0 1.0
   37    33   -52    47   0.09450 -1.0 2.0
   37    33   -52    47   0.11100  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    56   0.61850  1.0 1.0
   37    33    52    56  -0.22750 -1.0 2.0
   37    33    52    56   0.15300  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    49   0.00000  1.0 1.0
   37    42   -47    52   0.09850  1.0 1.0
   37    42   -47    52   0.15250 -1.0 2.0
   37    42   -47    52  -0.50650  1.0 3.0
   37    44    50    51   0.00000  1.0 1.0
   37    44    50    54  -0.28300  1.0 1.0
   37    44    50    54   0.26700 -1.0 2.0
   37    44    50    54  -0.63300  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    50  -0.28300  1.0 1.0
   42    37    44    50   0.26700 -1.0 2.0
   42    37    44    50  -0.63300  1.0 3.0
   42    47   -52    33   0.34400  1.0 1.0
   42    47   -52    33   0.09450 -1.0 2.0
   42    47   -52    33   0.11100  1.0 3.0
   42    47    52    53   0.15000  1.0 3.0
   42    47    52    56   0.61850  1.0 1.0
   42    47    52    56  -0.22750 -1.0 2.0
   42    47    52    56   0.15300  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.00000  1.0 1.0
   43    42    47    52   0.09700  1.0 1.0
   43    42    47    52   0.15600 -1.0 2.0
   43    42    47    52  -0.50800  1.0 3.0
   47    52    56    60  -0.25900  1.0 1.0
   47    52    56    60  -0.47000 -1.0 2.0
   47    52    56    60   0.11750  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    56   0.23400  1.0 3.0
   49    47    52    33   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    56   0.23400  1.0 3.0
   52    33   -37    42   0.09850  1.0 1.0
   52    33   -37    42   0.15250 -1.0 2.0
   52    33   -37    42  -0.50650  1.0 3.0
   52    33    37    44   0.46850  1.0 1.0
   52    33    37    44   0.08550 -1.0 2.0
   52    33    37    44   0.09800  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    40   0.15000  1.0 3.0
   52    33    38    41   0.15000  1.0 3.0
   52    56    60    61   3.00000 -1.0 2.0
   52    56    60    66   1.63150  1.0 1.0
   52    56    60    66   2.92000 -1.0 2.0
   53    52    56    60   0.08050  1.0 3.0
   56    60    66    67   0.00000  1.0 1.0
   56    60    66    68   0.36750  1.0 3.0
   56    60    66    70   0.36750  1.0 3.0
   60    66    68    69   0.15000  1.0 3.0
   60    66   -68    70  -0.95700  1.0 1.0
   60    66   -68    70  -0.18200 -1.0 2.0
   60    66   -68    70   0.29450  1.0 3.0
   60    66    68    71  -0.98800  1.0 1.0
   60    66    68    71   0.48800 -1.0 2.0
   60    66    68    71   0.76800  1.0 3.0
   60    66   -70    68  -0.95700  1.0 1.0
   60    66   -70    68  -0.18200 -1.0 2.0
   60    66   -70    68   0.29450  1.0 3.0
   60    66    70    73  -0.95700  1.0 1.0
   60    66    70    73  -0.18200 -1.0 2.0
   60    66    70    73   0.29450  1.0 3.0
   60    66    70    77  -0.95700  1.0 1.0
   60    66    70    77  -0.18200 -1.0 2.0
   60    66    70    77   0.29450  1.0 3.0
   61    60    66    67   0.50000  1.0 3.0
   61    60    66    68   0.30150 -1.0 2.0
   61    60    66    70   0.30150 -1.0 2.0
   66    68   -70    73   0.07850  1.0 1.0
   66    68   -70    73  -0.03950 -1.0 2.0
   66    68   -70    73   0.67350  1.0 3.0
   66    68   -70    77   0.07850  1.0 1.0
   66    68   -70    77  -0.03950 -1.0 2.0
   66    68   -70    77   0.67350  1.0 3.0
   66    68    71    72   0.00000  1.0 1.0
   66    68    71    81   0.09850  1.0 1.0
   66    68    71    81   0.15250 -1.0 2.0
   66    68    71    81  -0.50650  1.0 3.0
   66    70    73    74   0.15000  1.0 3.0
   66    70    73    75   0.15000  1.0 3.0
   66    70    73    76   0.15000  1.0 3.0
   66    70    77    78   0.15000  1.0 3.0
   66    70    77    79   0.15000  1.0 3.0
   66    70    77    80   0.15000  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66   -68    70   0.15000  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66   -70    68   0.15000  1.0 3.0
   67    66    70    73   0.15000  1.0 3.0
   67    66    70    77   0.15000  1.0 3.0
   68    66   -70    73   0.07850  1.0 1.0
   68    66   -70    73  -0.03950 -1.0 2.0
   68    66   -70    73   0.67350  1.0 3.0
   68    66   -70    77   0.07850  1.0 1.0
   68    66   -70    77  -0.03950 -1.0 2.0
   68    66   -70    77   0.67350  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70    73    75   0.15000  1.0 3.0
   68    70    73    76   0.15000  1.0 3.0
   68    70    77    78   0.15000  1.0 3.0
   68    70    77    79   0.15000  1.0 3.0
   68    70    77    80   0.15000  1.0 3.0
   68    71    81    82   7.00000 -1.0 2.0
   68    71    81    86   7.00000 -1.0 2.0
   69    68   -70    66   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    70    77   0.15000  1.0 3.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    81   0.00000  1.0 1.0
   70    66   -68    69   0.15000  1.0 3.0
   70    66   -68    71   0.34400  1.0 1.0
   70    66   -68    71   0.09450 -1.0 2.0
   70    66   -68    71   0.11100  1.0 3.0
   70    68    71    72   0.00000  1.0 1.0
   70    68    71    81   0.09850  1.0 1.0
   70    68    71    81   0.15250 -1.0 2.0
   70    68    71    81  -0.50650  1.0 3.0
   73    70    77    78   0.15000  1.0 3.0
   73    70    77    79   0.15000  1.0 3.0
   73    70    77    80   0.15000  1.0 3.0
   77    70    73    74   0.15000  1.0 3.0
   77    70    73    75   0.15000  1.0 3.0
   77    70    73    76   0.15000  1.0 3.0
   71    68   -70    66   0.34400  1.0 1.0
   71    68   -70    66   0.09450 -1.0 2.0
   71    68   -70    66   0.11100  1.0 3.0
   71    68    70    73   0.34400  1.0 1.0
   71    68    70    73   0.09450 -1.0 2.0
   71    68    70    73   0.11100  1.0 3.0
   71    68    70    77   0.34400  1.0 1.0
   71    68    70    77   0.09450 -1.0 2.0
   71    68    70    77   0.11100  1.0 3.0
   71    81    82    83   0.00000  1.0 1.0
   71    81    82    84   0.00000  1.0 1.0
   71    81    82    85   0.00000  1.0 1.0
   71    81    86    87   0.00000  1.0 1.0
   71    81    86    88   0.00000  1.0 1.0
   71    81    86    89   0.00000  1.0 1.0
   72    71    81    82   7.00000 -1.0 2.0
   72    71    81    86   7.00000 -1.0 2.0
   82    81    86    87   0.34800  1.0 3.0
   82    81    86    88   0.34800  1.0 3.0
   82    81    86    89   0.34800  1.0 3.0
   86    81    82    83   0.34800  1.0 3.0
   86    81    82    84   0.34800  1.0 3.0
   86    81    82    85   0.34800  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   44    50    54    55   7.00000 -1.0 2.0
   44    50    54    57   7.00000 -1.0 2.0
   45    44    50    51   0.33100  1.0 3.0
   45    44    50    54   0.00000  1.0 1.0
   46    44    50    51   0.33100  1.0 3.0
   46    44    50    54   0.00000  1.0 1.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54    57    62   0.09850  1.0 1.0
   50    54    57    62   0.15250 -1.0 2.0
   50    54    57    62  -0.50650  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    57   7.00000 -1.0 2.0
   54    57    62    63   0.15000  1.0 3.0
   54    57    62    64   0.15000  1.0 3.0
   54    57    62    65   0.15000  1.0 3.0
   55    54    57    58   0.33100  1.0 3.0
   55    54    57    59   0.33100  1.0 3.0
   55    54    57    62   0.00000  1.0 1.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   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    65   0.15000  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    56   0.62750  1.0 1.0
   38    33    52    56  -0.30950 -1.0 2.0
   38    33    52    56   0.27300  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    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   56    66    60    61  10.50000 -1.0 2.0
   68    72    71    81  15.00000 -1.0 2.0
   82    86    81    71  15.00000 -1.0 2.0
   44    51    50    54  15.00000 -1.0 2.0
   57    55    54    50  15.00000 -1.0 2.0
END
