* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    153    229     443
    1     0 S   NP   _N1_     1    30.54641    96.26800   -27.09456
    2     1 S   H    _HN1     2     1.02951    78.16150    -8.63065
    3     1 S   H    _H1_     3     1.02829    35.24684  -153.37878
    4     1 S   H    _H2_     4     1.02794   137.63765  -112.99540
    5     1 S   CT   _CA1     5     1.50120   103.57223    99.79025
    6     5 S   HC   _HA1     6     1.09576   105.17778    95.42165
    7     5 S   CO3  _C1_     7     1.53787   112.48461   -24.79475
    8     7 S   O2Z  _O11     8     1.26377   115.00717   -42.05488
    9     7 S   O2Z  _O12     9     1.26244   114.94697   137.04490
   10     5 S   CT   _CB1    10     1.53075   107.41678  -146.59883
   11    10 S   HC   HB11    11     1.09838   109.35191   -49.52519
   12    10 S   HC   HB12    12     1.09813   110.46102    67.08275
   13    10 S   CT   _CG1    13     1.53001   112.61447  -170.47901
   14    13 S   HC   HG11    14     1.09576   110.66820   -66.43928
   15    13 S   HC   HG12    15     1.09672   109.74407    52.79374
   16    13 S   C    _CD1    16     1.51806   112.15757   173.25869
   17    16 S   O    _OE1    17     1.22741   123.24023     9.03840
   18    16 S   N    _N2_    18     1.38649   111.71310  -170.92009
   19    18 S   H    _HN2    19     1.01562   118.96639     1.56411
   20    18 S   CT1  _CA2    20     1.46227   123.44078   177.33957
   21    20 S   HC   _HA2    21     1.09749   109.30874     6.79258
   22    20 S   C    _C2_    22     1.53659   108.72913  -108.65753
   23    22 S   O    _O2_    23     1.23073   122.33704  -147.60096
   24    20 S   CT   _CB2    32     1.53417   111.63482   128.76737
   25    24 S   HC   HB21    33     1.09499   109.87462    56.00205
   26    24 S   HC   HB22    34     1.09348   109.59939   174.72794
   27    22 S   N    _N3_    24     1.38342   113.78882    39.87635
   28    27 S   H    _HN3    25     1.01552   119.61090    -3.07071
   29    24 S   S    _SG2    35     1.82919   111.18064   -64.65093
   30    27 S   CT   _CA3    26     1.45282   123.24497   177.17888
   31    30 S   HC   HA31    27     1.09550   107.48973   -65.11563
   32    30 S   HC   HA32    28     1.09557   108.01515    51.33596
   33    29 S   CT   _C24    36     1.84875   101.17849  -167.13770
   34    33 S   OM   _O37    37     1.31924   110.20682   178.14280
   35    30 S   CO3  _C3_    29     1.52968   114.05938   173.34628
   36    35 S   O2Z  _O31    30     1.26380   116.07572    -0.89918
   37    35 S   O2Z  _O32    31     1.26427   114.41871   179.16890
   38    33 S   CT   _C25    38     1.54536   107.55536   -66.79843
   39    38 S   HC   _H24    39     1.09658   111.55247    67.21699
   40    38 S   HC   _H25    40     1.09820   113.28835   -55.40197
   41    38 S   HC   _H26    41     1.10013   111.20485  -176.39326
   42    33 S   OS   _O36    42     1.44661   114.68902    48.97542
   43    42 S   CA   _C21    43     1.36693   123.94780    58.29963
   44    43 S   CA   _C20    44     1.39626   114.37993  -167.89168
   45    44 S   HA   _H21    45     1.08782   119.92063     0.54249
   46    44 S   CA   _C19    46     1.39922   121.06247   179.32045
   47    46 S   HA   _H20    47     1.08622   117.36631  -177.05423
   48    46 S   CA   _C18    48     1.40355   121.24273     1.37672
   49    48 S   CA   _C23    49     1.40900   116.86755    -2.14758
   50    49 S   HA   _H23    50     1.08792   120.70010  -177.40392
   51    48 S   CT   _C7_    53     1.55668   122.63174  -177.65908
   52    43 S   CA   _C22    51     1.39043   127.03540    11.84779
   53    52 S   HA   _H22    52     1.08446   122.11789     0.44543
   54    51 S   CA   _C10    54     1.55974   110.37186  -144.18487
   55    51 S   CO4  _C6_    71     1.57367   113.72425   -27.64237
   56    55 S   O    _O33    72     1.23415   122.11927   -24.87425
   57    51 S   CT   _C8_    80     1.56875   106.08587    93.38135
   58    57 S   HC   _H8_    81     1.09897   109.95110    62.45121
   59    57 S   HC   _H9_    82     1.09689   110.34957   178.67766
   60    54 S   CA   _C11    55     1.40748   123.14326  -121.12761
   61    60 S   HA   _H13    56     1.08556   121.65539     0.45628
   62    55 S   CT   _C5_    73     1.52898   117.80631   160.18981
   63    62 S   HC   _H6_    74     1.09311   109.03815   -72.60581
   64    62 S   HC   _H7_    75     1.09422   108.89271    46.17357
   65    57 S   CT   _C9_    83     1.52966   116.11118   -59.27498
   66    65 S   HC   _H10    84     1.09312   112.20538   -51.00656
   67    65 S   HC   _H11    85     1.09388   111.58676    71.09941
   68    65 S   HC   _H12    86     1.09534   109.60591  -170.67601
   69    60 S   CA   _C12    57     1.39744   121.09984  -179.39284
   70    69 S   HA   _H14    58     1.08602   119.92675   179.55765
   71    62 S   CT   _C4_    76     1.52019   112.50724   166.54676
   72    71 S   HC   _H3_    77     1.09506   111.01657   -58.78697
   73    71 S   HC   _H4_    78     1.09502   111.08819    61.29219
   74    71 S   HC   _H5_    79     1.09437   110.34835  -178.78727
   75    69 S   CA   _C13    59     1.39130   119.42931    -0.57267
   76    75 S   CA   _C14    60     1.38961   121.20924     1.36587
   77    76 S   HA   _H15    61     1.08559   120.85901   178.85517
   78    75 S   OS   _O34    64     1.39591   119.57796   178.19637
   79    54 S   CA   _C15    62     1.41444   119.10944    59.74097
   80    79 S   HA   _H16    63     1.08837   120.33811    -0.60941
   81    78 S   CO4  _C16    65     1.39017   112.88484    87.31230
   82    81 S   O    _O35    66     1.22373   127.13302     0.18871
   83    81 S   CT   _C17    67     1.49998   108.66483  -179.85598
   84    83 S   HC   _H17    68     1.09287   109.82502   -61.01325
   85    83 S   HC   _H18    69     1.09380   109.32547   179.96044
   86    83 S   HC   _H19    70     1.09287   109.82536    60.93564
  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
   9   6   2   1   1   5   3   2   1   7   9   8   4   9   3  15
   7   3  21   1   1  16  14   5   9   5   4   8   4   6   5   4
   3   2   1   1   7   3   3   2   1   1   8   5   3   7   1   1
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    52  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    52    53  
   44    45    46    47    48    49    50    52    53  
   45    46    47    48    49    52    53    51  
   46    47    48    52  
   47    48    49    50    52    51    54    55    57  
   48    49    51  
   49    50    52    53    51    54    60    79    55    56    62    57    58    59    65  
   50    52    53    51    54    55    57  
   52    53    51  
   54    60    61    69    76    79    80    55    56    62    63    64    71    57    58    59    65    66    67    68    52  
   53  
    0  
   60    61    69    70    75    76    77    79    80    55    56    62    57    58    59    65  
   56    62    63    64    71    72    73    74    57    58    59    65    60    79  
   62    63    64    71    57  
   58    59    65    66    67    68    60    62    79  
   59    65    66    67    68  
   65    66    67    68  
   61    69    70    75    76    79    80    78  
   69    70    75    79  
   63    64    71    72    73    74  
   64    71    72    73    74  
   71    72    73    74  
   66    67    68  
   67    68  
   68  
    0  
   70    75    76    77    79    78    81  
   75    76    78  
   72    73    74  
   73    74  
   74  
    0  
   76    77    79    80    78    81    82    83  
   77    79    80    78    81  
   79    80    78  
   81    82    83    84    85    86    79  
   80  
    0  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.180000   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    52   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    51   317.000  1.510
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   51    54   317.000  1.510
   51    55   317.000  1.522
   51    57   268.000  1.529
   54    60   469.000  1.400
   54    79   469.000  1.400
   60    61   367.000  1.080
   60    69   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   469.000  1.400
   75    78   450.000  1.364
   76    77   367.000  1.080
   76    79   469.000  1.400
   79    80   367.000  1.080
   78    81   214.000  1.327
   81    82   570.000  1.229
   81    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   55    56   570.000  1.229
   55    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    52    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    52    49    63.00000  120.00000
   43    52    53    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    51    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    52    63.00000  120.00000
   48    51    54    70.00000  112.04700
   48    51    55    70.00000  110.93000
   48    51    57    70.00000  112.17500
   49    52    53    35.00000  120.00000
   52    43    44    63.00000  120.00000
   52    49    50    35.00000  120.00000
   51    48    49    70.00000  120.00000
   51    54    60    70.00000  120.00000
   51    54    79    70.00000  120.00000
   51    55    56    80.00000  120.40000
   51    55    62    70.00000  116.00000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    65    58.35000  112.70000
   54    60    61    35.00000  120.00000
   54    60    69    63.00000  120.00000
   54    79    76    63.00000  120.00000
   54    79    80    35.00000  120.00000
   60    69    70    35.00000  120.00000
   60    69    75    63.00000  120.00000
   69    60    61    35.00000  120.00000
   69    75    76    63.00000  120.00000
   69    75    78    70.00000  120.00000
   75    69    70    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    79    63.00000  120.00000
   75    78    81    85.00000  115.98000
   76    79    80    35.00000  120.00000
   79    54    60    63.00000  120.00000
   79    76    77    35.00000  120.00000
   78    75    76    70.00000  120.00000
   78    81    82    83.00000  123.40000
   78    81    83    81.00000  111.40000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    86    35.00000  109.50000
   83    81    82    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   55    51    54    70.00000  110.93000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    71    63.00000  111.10000
   62    55    56    80.00000  120.40000
   62    71    72    37.50000  110.70000
   62    71    73    37.50000  110.70000
   62    71    74    37.50000  110.70000
   64    62    63    33.00000  107.80000
   71    62    63    37.50000  110.70000
   71    62    64    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   57    51    54    70.00000  112.17500
   57    51    55    63.00000  111.10000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    68    37.50000  110.70000
   59    57    58    33.00000  107.80000
   65    57    58    37.50000  110.70000
   65    57    59    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
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    52   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    52    49   3.62500 -1.0 2.0
   42    43    52    53   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    52    49   3.62500 -1.0 2.0
   44    43    52    53   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    51   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    51    54   0.04300 -1.0 2.0
   46    48    51    55   0.04300 -1.0 2.0
   46    48    51    57   0.04150 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   48    49   -52    43   3.62500 -1.0 2.0
   48    49    52    53   3.62500 -1.0 2.0
   48    51    54    60   0.04300 -1.0 2.0
   48    51    54    79   0.04300 -1.0 2.0
   48    51    55    56   0.30150 -1.0 2.0
   48    51    55    62   0.65300  1.0 1.0
   48    51    55    62  -0.03850 -1.0 2.0
   48    51    55    62   0.33900  1.0 3.0
   48    51    57    58   0.43200  1.0 3.0
   48    51    57    59   0.43200  1.0 3.0
   48    51    57    65  -0.03700  1.0 1.0
   48    51    57    65   0.37200 -1.0 2.0
   48    51    57    65  -0.47300  1.0 3.0
   49    48    51    54   0.04300 -1.0 2.0
   49    48    51    55   0.04300 -1.0 2.0
   49    48    51    57   0.04150 -1.0 2.0
   50    49    52    43   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   52    43    44    45   3.62500 -1.0 2.0
   52    43   -44    46   3.62500 -1.0 2.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    52   3.62500 -1.0 2.0
   51    54    60    61   3.62500 -1.0 2.0
   51    54    60    69   3.62500 -1.0 2.0
   51    54    79    76   3.62500 -1.0 2.0
   51    54    79    80   3.62500 -1.0 2.0
   51    55    62    63   0.00000  1.0 1.0
   51    55    62    64   0.00000  1.0 1.0
   51    55    62    71   0.60050  1.0 1.0
   51    55    62    71   0.05600 -1.0 2.0
   51    55    62    71   0.26150  1.0 3.0
   51    57    65    66   0.15000  1.0 3.0
   51    57    65    67   0.15000  1.0 3.0
   51    57    65    68   0.15000  1.0 3.0
   54    51    55    56   0.30150 -1.0 2.0
   54    51    55    62   0.65300  1.0 1.0
   54    51    55    62  -0.03850 -1.0 2.0
   54    51    55    62   0.33900  1.0 3.0
   54    51    57    58   0.43200  1.0 3.0
   54    51    57    59   0.43200  1.0 3.0
   54    51    57    65  -0.03700  1.0 1.0
   54    51    57    65   0.37200 -1.0 2.0
   54    51    57    65  -0.47300  1.0 3.0
   54    60    69    70   3.62500 -1.0 2.0
   54    60    69    75   3.62500 -1.0 2.0
   60    54    79    76   3.62500 -1.0 2.0
   60    54    79    80   3.62500 -1.0 2.0
   60    69   -75    76   3.62500 -1.0 2.0
   60    69    75    78   3.62500 -1.0 2.0
   61    60    69    70   3.62500 -1.0 2.0
   61    60    69    75   3.62500 -1.0 2.0
   69    75    76    77   3.62500 -1.0 2.0
   69    75    76    79   3.62500 -1.0 2.0
   69    75    78    81   0.01300  1.0 1.0
   69    75    78    81   0.97950 -1.0 2.0
   69    75    78    81  -0.55700  1.0 3.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    78   3.62500 -1.0 2.0
   75    76   -79    54   3.62500 -1.0 2.0
   75    76    79    80   3.62500 -1.0 2.0
   75    78    81    82   3.00000 -1.0 2.0
   75    78    81    83   0.75600  1.0 1.0
   75    78    81    83   1.63000 -1.0 2.0
   76    75    78    81   0.01300  1.0 1.0
   76    75    78    81   0.97950 -1.0 2.0
   76    75    78    81  -0.55700  1.0 3.0
   77    76    79    54   3.62500 -1.0 2.0
   77    76    79    80   3.62500 -1.0 2.0
   79    54    60    61   3.62500 -1.0 2.0
   79    54   -60    69   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    79   3.62500 -1.0 2.0
   78    81    83    84   0.00000  1.0 1.0
   78    81    83    85   0.00000  1.0 1.0
   78    81    83    86   0.00000  1.0 1.0
   82    81    83    84   0.00000  1.0 1.0
   82    81    83    85   0.00000  1.0 1.0
   82    81    83    86   0.00000  1.0 1.0
   55    51    54    60   0.04300 -1.0 2.0
   55    51    54    79   0.04300 -1.0 2.0
   55    51    57    58  -0.11250  1.0 3.0
   55    51    57    59  -0.11250  1.0 3.0
   55    51    57    65  -0.95700  1.0 1.0
   55    51    57    65  -0.18200 -1.0 2.0
   55    51    57    65   0.29450  1.0 3.0
   55    62    71    72  -0.11250  1.0 3.0
   55    62    71    73  -0.11250  1.0 3.0
   55    62    71    74  -0.11250  1.0 3.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    64   0.00000  1.0 1.0
   56    55    62    71   0.30150 -1.0 2.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    73   0.15000  1.0 3.0
   63    62    71    74   0.15000  1.0 3.0
   64    62    71    72   0.15000  1.0 3.0
   64    62    71    73   0.15000  1.0 3.0
   64    62    71    74   0.15000  1.0 3.0
   57    51    54    60   0.04150 -1.0 2.0
   57    51    54    79   0.04150 -1.0 2.0
   57    51    55    56   0.30150 -1.0 2.0
   57    51    55    62   0.60050  1.0 1.0
   57    51    55    62   0.05600 -1.0 2.0
   57    51    55    62   0.26150  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    68   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    67   0.15000  1.0 3.0
   59    57    65    68   0.15000  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
   44    52    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    51    48    46   4.00000 -1.0 2.0
   52    50    49    48   1.10000 -1.0 2.0
   49    53    52    43   1.10000 -1.0 2.0
   60    79    54    51   4.00000 -1.0 2.0
   69    61    60    54   1.10000 -1.0 2.0
   75    70    69    60   1.10000 -1.0 2.0
   76    78    75    69   4.00000 -1.0 2.0
   79    77    76    75   1.10000 -1.0 2.0
   76    80    79    54   1.10000 -1.0 2.0
   78    83    81    82  10.50000 -1.0 2.0
   51    62    55    56  10.50000 -1.0 2.0
END
