* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    158    227     458
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02011   106.62344   -15.54448
    3     1 S   H    _H1_     3     1.02093    56.78004    86.22280
    4     1 S   H    _H2_     4     1.02139    55.35514  -117.09933
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C9_    36     1.84156    97.55847   161.84627
   34    33 S   HC   _H3_    37     1.09538   105.16584   -38.05833
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C5_    38     1.54042   111.42372    79.98162
   39    38 S   HC   _H28    39     1.09848   108.05682  -168.47686
   40    38 S   CT   _C4_    40     1.53957   111.75759    72.23236
   41    40 S   HC   _H27    41     1.09758   108.14903   -66.90760
   42    38 S   OS   _O22    60     1.42399   111.39587   -52.12916
   43    40 S   CO   _C12    42     1.53927   110.22511    51.26106
   44    43 S   HC   _H35    43     1.09639   108.60447  -170.61818
   45    40 S   CT   _C14    56     1.53161   111.35547   176.02310
   46    45 S   HC   _H37    57     1.08728   109.63031   -62.15603
   47    45 S   HC   _H38    58     1.08740   109.60345   177.89662
   48    45 S   HC   _H39    59     1.08762   109.62912    57.92428
   49    42 S   CO   _C13    61     1.42616   111.45869   -87.42149
   50    49 S   HC   _H36    62     1.07753   107.61786    59.96461
   51    43 S   OS   _O19    44     1.43066   111.13935   -53.16765
   52    43 S   OS   _O24    51     1.42580   110.71130    71.81080
   53    49 S   CT   _C8_    63     1.53338   108.40245   179.02542
   54    53 S   HC   _H31    64     1.08610   110.41145   -60.73716
   55    33 S   CT   _C11    45     1.53936   112.34714  -157.33965
   56    55 S   HC   _H34    46     1.09755   108.39910   173.29039
   57    52 S   CT   _C17    52     1.42012   111.36617   159.97098
   58    57 S   HC   _H46    53     1.09214   109.51212   179.97202
   59    57 S   HC   _H47    54     1.09272   109.49180    59.24306
   60    57 S   HC   _H48    55     1.09244   108.96913   -60.41568
   61    53 S   CT   _C6_    65     1.52786   110.92800   177.27559
   62    61 S   HC   _H29    66     1.09358   109.96427  -172.20608
   63    53 S   OH   _O21    83     1.42906   108.70289    57.13025
   64    63 S   HO   _H50    84     0.96984   106.61627  -178.85192
   65    55 S   CT   _C16    47     1.52580   114.60993    54.42619
   66    65 S   HC   _H43    48     1.08895   109.91420   -60.17232
   67    65 S   HC   _H44    49     1.08975   109.92230   179.84423
   68    65 S   HC   _H45    50     1.08942   109.88296    59.86456
   69    61 S   CT   _C7_    67     1.53418   110.10299   -50.94553
   70    69 S   HC   _H30    68     1.13685   107.88251   -71.60673
   71    61 S   OH   _O20    81     1.42428   109.65360    70.23215
   72    71 S   HO   _H49    82     0.96952   106.58501    58.81211
   73    69 S   CT   _C10    69     1.53711   113.22343    49.01554
   74    73 S   HC   _H33    70     1.14505   106.40431  -165.30299
   75    69 S   OS   _O23    76     1.42111   110.94938   174.06238
   76    49 S   OS   _O18    71     1.42892   110.30264   -59.29608
   77    73 S   CT   _C15    72     1.52803   115.73446    77.40622
   78    77 S   HC   _H40    73     1.08997   109.97519   -62.35577
   79    77 S   HC   _H41    74     1.08925   109.93618   177.64084
   80    77 S   HC   _H42    75     1.08958   109.95871    57.65495
   81    75 S   SY   _S26    77     1.63727   119.31407    80.02940
   82    81 S   OY   _O15    78     1.46288   103.16304   160.37469
   83    81 S   OY   _O16    79     1.46179   104.61078    40.76123
   84    81 S   OY   _O17    80     1.46182   104.62543   -80.00456
  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  10   5   4   3
  16   8   2   1   1  19   7  13   9  11  14   5   5   2   1   1
  13   6   8   5  12   7   5   4   3   2   1   1  13   7   4   1
   3   2   1   1  15   7   3   1   8   6   6   4   3   2   1   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    51    55    56    65    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    51    55    56    65    66    67    68    45    42    49  
   38    39    40    51    55    56    65    42  
   36    37  
   37  
    0  
   39    40    41    43    44    51    55    56    65    52    45    46    47    48    42    49    50    53    76  
   40    41    43    55    45    42    49  
   41    43    44    51    55    52    57    45    46    47    48    42    49  
   43    44    51    52    45    46    47    48    42  
   49    50    53    54    61    73    76    63    43    45    55  
   44    51    55    56    65    52    57    58    59    60    45    46    47    48  
   51    55    52    57    45  
   46    47    48    51    52  
   47    48  
   48  
    0  
   50    53    54    61    62    69    73    74    76    77    71    63    64  
   53    54    61    73    76    63  
   55    56    65    66    67    68    52    57  
   57    58    59    60    55  
   54    61    62    69    70    73    76    75    71    72    63    64  
   61    62    69    76    71    63    64  
   56    65    66    67    68  
   65    66    67    68  
   58    59    60  
   59    60  
   60  
    0  
   62    69    70    73    74    76    77    75    81    71    72    63    64  
   69    70    73    75    71    72    63  
   64    69    71    76  
    0  
   66    67    68  
   67    68  
   68  
    0  
   70    73    74    76    77    78    79    80    75    81    82    83    84    71    72  
   73    74    76    77    75    81    71  
   72    73    75  
    0  
   74    76    77    78    79    80    75    81  
   76    77    78    79    80    75  
   81    82    83    84    76    77  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   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  -0.180000   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   3.5000   0.0660   0.111100   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   82   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   83   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   84   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
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   268.000  1.529
   33    55   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   250.000  1.527
   40    45   268.000  1.529
   43    44   340.000  1.090
   43    51   320.000  1.380
   43    52   320.000  1.380
   51    55   320.000  1.410
   55    56   340.000  1.090
   55    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   52    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   42    49   320.000  1.380
   49    50   340.000  1.090
   49    53   250.000  1.527
   49    76   320.000  1.380
   53    54   340.000  1.090
   53    61   268.000  1.529
   53    63   320.000  1.410
   61    62   340.000  1.090
   61    69   268.000  1.529
   61    71   320.000  1.410
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   320.000  1.410
   73    74   340.000  1.090
   73    76   320.000  1.410
   73    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   75    81   335.000  1.682
   81    82   735.000  1.471
   81    83   735.000  1.471
   81    84   735.000  1.471
   71    72   553.000  0.945
   63    64   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    51    50.00000  109.50000
   33    55    56    37.50000  110.70000
   33    55    65    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    75.00000  109.43000
   38    40    45    58.35000  112.70000
   38    42    49    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    45.00000  112.01100
   40    43    51    90.00000  108.56700
   40    43    52    90.00000  108.56700
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   43    40    41    45.00000  108.72000
   43    51    55    60.00000  109.50000
   43    52    57    60.00000  109.50000
   51    43    44    35.00000  109.50000
   51    55    56    35.00000  109.50000
   51    55    65    50.00000  109.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    65    66    37.50000  110.70000
   55    65    67    37.50000  110.70000
   55    65    68    37.50000  110.70000
   65    55    56    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   52    43    44    35.00000  109.50000
   52    43    51    92.60000  111.55000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    43    75.00000  109.43000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    49    50    35.00000  109.50000
   42    49    53    90.00000  108.56700
   42    49    76    92.60000  111.55000
   49    53    54    45.00000  108.72000
   49    53    61    75.00000  109.43000
   49    53    63    90.00000  111.58700
   49    76    73    60.00000  109.50000
   53    49    50    45.00000  112.01100
   53    61    62    37.50000  110.70000
   53    61    69    58.35000  112.70000
   53    61    71    50.00000  109.50000
   53    63    64    55.00000  108.50000
   61    53    54    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    73    58.35000  112.70000
   61    69    75    50.00000  109.50000
   61    71    72    55.00000  108.50000
   69    61    62    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    76    50.00000  109.50000
   69    73    77    58.35000  112.70000
   69    75    81   100.00000  113.05000
   73    69    70    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    80    37.50000  110.70000
   76    49    50    35.00000  109.50000
   76    49    53    90.00000  108.56700
   76    73    74    35.00000  109.50000
   77    73    74    37.50000  110.70000
   77    73    76    50.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   75    69    70    35.00000  109.50000
   75    69    73    50.00000  109.50000
   75    81    82   135.00000  106.70400
   75    81    83   135.00000  106.70400
   75    81    84   135.00000  106.70400
   83    81    82   115.00000  120.17200
   84    81    82   115.00000  120.17200
   84    81    83   115.00000  120.17200
   71    61    62    35.00000  109.50000
   71    61    69    50.00000  109.50000
   63    53    54    35.00000  109.50000
   63    53    61    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    51   0.56750  1.0 1.0
   29    33    55    51  -0.07550 -1.0 2.0
   29    33    55    51   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    65   0.44750  1.0 1.0
   29    33    55    65  -0.17800 -1.0 2.0
   29    33    55    65   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   3.97050  1.0 1.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    42    49   0.06250  1.0 1.0
   33    38    42    49  -0.01100 -1.0 2.0
   33    38    42    49   0.28050  1.0 3.0
   33    55    65    66   0.15000  1.0 3.0
   33    55    65    67   0.15000  1.0 3.0
   33    55    65    68   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    55    51   0.23400  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    65   0.15000  1.0 3.0
   38    33    55    51   0.62750  1.0 1.0
   38    33    55    51  -0.30950 -1.0 2.0
   38    33    55    51   0.27300  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    65   0.56750  1.0 1.0
   38    33    55    65  -0.07550 -1.0 2.0
   38    33    55    65   0.20000  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    51   0.62750  1.0 1.0
   38    40   -43    51  -0.30950 -1.0 2.0
   38    40   -43    51   0.27300  1.0 3.0
   38    40    43    52   0.62750  1.0 1.0
   38    40    43    52  -0.30950 -1.0 2.0
   38    40    43    52   0.27300  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    48   0.15000  1.0 3.0
   38    42    49    50   0.37050  1.0 3.0
   38    42    49    53   0.06250  1.0 1.0
   38    42    49    53  -0.01100 -1.0 2.0
   38    42    49    53   0.28050  1.0 3.0
   38    42    49    76  -0.53350  1.0 1.0
   38    42    49    76  -0.78350 -1.0 2.0
   38    42    49    76   0.33750  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    49   0.37050  1.0 3.0
   40    38    42    49   0.06250  1.0 1.0
   40    38    42    49  -0.01100 -1.0 2.0
   40    38    42    49   0.28050  1.0 3.0
   40    43    51    55   0.06250  1.0 1.0
   40    43    51    55  -0.01100 -1.0 2.0
   40    43    51    55   0.28050  1.0 3.0
   40    43    52    57   0.06250  1.0 1.0
   40    43    52    57  -0.01100 -1.0 2.0
   40    43    52    57   0.28050  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    43    52   0.23400  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    48   0.15000  1.0 3.0
   43    40    45    46   0.15000  1.0 3.0
   43    40    45    47   0.15000  1.0 3.0
   43    40    45    48   0.15000  1.0 3.0
   43    51   -55    33   0.06250  1.0 1.0
   43    51   -55    33  -0.01100 -1.0 2.0
   43    51   -55    33   0.28050  1.0 3.0
   43    51    55    56   0.37050  1.0 3.0
   43    51    55    65   0.06250  1.0 1.0
   43    51    55    65  -0.01100 -1.0 2.0
   43    51    55    65   0.28050  1.0 3.0
   43    52    57    58   0.37050  1.0 3.0
   43    52    57    59   0.37050  1.0 3.0
   43    52    57    60   0.37050  1.0 3.0
   44    43    51    55   0.37050  1.0 3.0
   44    43    52    57   0.37050  1.0 3.0
   51    43    52    57  -0.53350  1.0 1.0
   51    43    52    57  -0.78350 -1.0 2.0
   51    43    52    57   0.33750  1.0 3.0
   51    55    65    66   0.23400  1.0 3.0
   51    55    65    67   0.23400  1.0 3.0
   51    55    65    68   0.23400  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.62750  1.0 1.0
   55    33    38    42  -0.30950 -1.0 2.0
   55    33    38    42   0.27300  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    67   0.15000  1.0 3.0
   56    55    65    68   0.15000  1.0 3.0
   52    43    51    55  -0.81800  1.0 1.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    51   0.62750  1.0 1.0
   45    40    43    51  -0.30950 -1.0 2.0
   45    40    43    51   0.27300  1.0 3.0
   45    40    43    52   0.62750  1.0 1.0
   45    40    43    52  -0.30950 -1.0 2.0
   45    40    43    52   0.27300  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   0.62750  1.0 1.0
   42    38    40    45  -0.30950 -1.0 2.0
   42    38    40    45   0.27300  1.0 3.0
   42    49    53    54   0.23400  1.0 3.0
   42    49    53    61   0.62750  1.0 1.0
   42    49    53    61  -0.30950 -1.0 2.0
   42    49    53    61   0.27300  1.0 3.0
   42    49    53    63   3.69350  1.0 1.0
   42    49    53    63  -1.82950 -1.0 2.0
   42    49    76    73  -0.81800  1.0 1.0
   49    53    61    62   0.15000  1.0 3.0
   49    53    61    69   3.97050  1.0 1.0
   49    53    61    71   0.86500  1.0 1.0
   49    53    61    71  -0.17500 -1.0 2.0
   49    53    61    71   0.20800  1.0 3.0
   49    53    63    64  -0.11600  1.0 1.0
   49    53    63    64  -0.09450 -1.0 2.0
   49    53    63    64   0.21250  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    61   0.15000  1.0 3.0
   50    49    53    63   0.23400  1.0 3.0
   50    49    76    73   0.37050  1.0 3.0
   53    49    76    73   0.06250  1.0 1.0
   53    49    76    73  -0.01100 -1.0 2.0
   53    49    76    73   0.28050  1.0 3.0
   53    61    69    70   0.15000  1.0 3.0
   53    61   -69    73   0.56750  1.0 1.0
   53    61   -69    73  -0.07550 -1.0 2.0
   53    61   -69    73   0.20000  1.0 3.0
   53    61    69    75   0.62750  1.0 1.0
   53    61    69    75  -0.30950 -1.0 2.0
   53    61    69    75   0.27300  1.0 3.0
   53    61    71    72  -0.11600  1.0 1.0
   53    61    71    72  -0.09450 -1.0 2.0
   53    61    71    72   0.21250  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    69   0.15000  1.0 3.0
   54    53    61    71   0.23400  1.0 3.0
   54    53    63    64   0.19450  1.0 3.0
   61    53    63    64  -0.11600  1.0 1.0
   61    53    63    64  -0.09450 -1.0 2.0
   61    53    63    64   0.21250  1.0 3.0
   61    69    73    74   0.15000  1.0 3.0
   61    69    73    76   0.62750  1.0 1.0
   61    69    73    76  -0.30950 -1.0 2.0
   61    69    73    76   0.27300  1.0 3.0
   61    69    73    77   0.56750  1.0 1.0
   61    69    73    77  -0.07550 -1.0 2.0
   61    69    73    77   0.20000  1.0 3.0
   61    69    75    81   0.37500  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    73   0.15000  1.0 3.0
   62    61    69    75   0.23400  1.0 3.0
   62    61    71    72   0.19450  1.0 3.0
   69    61    71    72  -0.11600  1.0 1.0
   69    61    71    72  -0.09450 -1.0 2.0
   69    61    71    72   0.21250  1.0 3.0
   69    73   -76    49   0.06250  1.0 1.0
   69    73   -76    49  -0.01100 -1.0 2.0
   69    73   -76    49   0.28050  1.0 3.0
   69    73    77    78   0.15000  1.0 3.0
   69    73    77    79   0.15000  1.0 3.0
   69    73    77    80   0.15000  1.0 3.0
   69    75    81    82   0.29800  1.0 3.0
   69    75    81    83   0.29800  1.0 3.0
   69    75    81    84   0.29800  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    76   0.23400  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    75    81   0.00000  1.0 1.0
   73    69    75    81   0.37500  1.0 3.0
   74    73    76    49   0.37050  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    79   0.15000  1.0 3.0
   74    73    77    80   0.15000  1.0 3.0
   76    49    53    54   0.23400  1.0 3.0
   76    49   -53    61   0.62750  1.0 1.0
   76    49   -53    61  -0.30950 -1.0 2.0
   76    49   -53    61   0.27300  1.0 3.0
   76    49    53    63   3.69350  1.0 1.0
   76    49    53    63  -1.82950 -1.0 2.0
   76    73    77    78   0.23400  1.0 3.0
   76    73    77    79   0.23400  1.0 3.0
   76    73    77    80   0.23400  1.0 3.0
   77    73    76    49   0.06250  1.0 1.0
   77    73    76    49  -0.01100 -1.0 2.0
   77    73    76    49   0.28050  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    76   1.11900  1.0 1.0
   75    69    73    76  -1.16350 -1.0 2.0
   75    69    73    76  -0.34150  1.0 3.0
   75    69    73    77   0.62750  1.0 1.0
   75    69    73    77  -0.30950 -1.0 2.0
   75    69    73    77   0.27300  1.0 3.0
   71    61    69    70   0.23400  1.0 3.0
   71    61    69    73   0.86500  1.0 1.0
   71    61    69    73  -0.17500 -1.0 2.0
   71    61    69    73   0.20800  1.0 3.0
   71    61    69    75   3.69350  1.0 1.0
   71    61    69    75  -1.82950 -1.0 2.0
   63    53    61    62   0.23400  1.0 3.0
   63    53    61    69   0.86500  1.0 1.0
   63    53    61    69  -0.17500 -1.0 2.0
   63    53    61    69   0.20800  1.0 3.0
   63    53    61    71   3.75450  1.0 1.0
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
END
