* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    144    235     429
    1     0 S   NP   _N1_     1    29.51276    99.77890   -20.39298
    2     1 S   H    _HN1     2     1.02949    61.91838    36.62789
    3     1 S   H    _H1_     3     1.02830    63.38557   166.36154
    4     1 S   H    _H2_     4     1.02786    82.16014   -79.08289
    5     1 S   CT   _CA1     5     1.50118   165.60599    97.41611
    6     5 S   HC   _HA1     6     1.09577   105.16342   122.31494
    7     5 S   CO3  _C1_     7     1.53751   112.51837     2.21576
    8     7 S   O2Z  _O11     8     1.26370   115.01849   -41.33794
    9     7 S   O2Z  _O12     9     1.26255   114.98348   137.84870
   10     5 S   CT   _CB1    10     1.53104   107.41155  -119.78715
   11    10 S   HC   HB11    11     1.09821   109.23759   -50.23745
   12    10 S   HC   HB12    12     1.09811   110.51731    66.38382
   13    10 S   CT   _CG1    13     1.52927   112.58790  -171.29311
   14    13 S   HC   HG11    14     1.09435   110.45505   -67.13873
   15    13 S   HC   HG12    15     1.09678   109.86511    51.93724
   16    13 S   C    _CD1    16     1.51787   112.50032   172.21467
   17    16 S   O    _OE1    17     1.22699   123.37348     2.22123
   18    16 S   N    _N2_    18     1.38597   111.50356  -177.20964
   19    18 S   H    _HN2    19     1.01614   118.85892    -0.26541
   20    18 S   CT1  _CA2    20     1.46288   123.56737   175.17850
   21    20 S   HC   _HA2    21     1.09733   109.52748    -2.37455
   22    20 S   C    _C2_    22     1.53545   108.16906  -117.65000
   23    22 S   O    _O2_    23     1.23032   122.41371  -147.77673
   24    20 S   CT   _CB2    32     1.53307   111.21210   120.14163
   25    24 S   HC   HB21    33     1.09299   109.02769    52.30007
   26    24 S   HC   HB22    34     1.09457   110.44970   170.99907
   27    22 S   N    _N3_    24     1.38373   113.55427    39.74315
   28    27 S   H    _HN3    25     1.01604   119.53798    -3.45751
   29    24 S   S    _SG2    35     1.82885   110.88848   -70.42226
   30    27 S   CT   _CA3    26     1.45279   123.20254   177.11303
   31    30 S   HC   HA31    27     1.09549   107.52802   -64.17212
   32    30 S   HC   HA32    28     1.09557   107.96493    52.26384
   33    29 S   CT   _C12    36     1.88153   102.75569   148.54402
   34    30 S   CO3  _C3_    29     1.52950   114.07528   174.24776
   35    34 S   O2Z  _O31    30     1.26375   116.06235    -0.54393
   36    34 S   O2Z  _O32    31     1.26427   114.41785   179.50663
   37    33 S   CO4  _C11    37     1.53737   107.66349   -59.24970
   38    37 S   O    _O34    38     1.22801   121.66458   109.53459
   39    33 S   CT   _C23    74     1.54633   112.38038    65.07052
   40    39 S   HC   _H5_    75     1.09934   109.42211  -179.24853
   41    37 S   CA   _C10    39     1.50114   117.72901   -71.18468
   42    39 S   OH   _O38    76     1.42853   112.78842   -62.30112
   43    42 S   HO   _H18    77     0.97403   107.29826   -62.25069
   44    41 S   CA   _C9_    40     1.40588   118.89840   -15.91192
   45    44 S   CA   _C8_    41     1.39675   120.77938   179.46005
   46    45 S   HA   _H11    42     1.08681   121.30532  -179.81869
   47    44 S   CO4  _C14    53     1.48277   120.57919     0.55036
   48    47 S   O    _O35    54     1.22553   119.41948   157.08268
   49    45 S   CA   _C7_    43     1.38940   119.58944     0.75381
   50    49 S   HA   _H10    44     1.08692   119.98049   179.62570
   51    33 S   CT   _C13    55     1.55995   111.47484  -174.50788
   52    51 S   HC   _H3_    56     1.10269   108.38806   165.50054
   53    49 S   CA   _C6_    45     1.39557   120.23884    -1.04249
   54    53 S   HA   _H9_    46     1.08620   117.22497  -179.32420
   55    51 S   CA   _C15    57     1.52591   115.19144   -78.51946
   56    41 S   CA   _C5_    47     1.40965   121.61864   162.81814
   57    55 S   CA   _C16    58     1.40977   120.84713   -12.16050
   58    56 S   OS   _O33    48     1.37065   117.52770    -1.39227
   59    57 S   CA   _C17    59     1.41016   119.75211   176.03118
   60    59 S   HA   _H12    60     1.08918   119.35980  -177.39925
   61    57 S   CT   _C22    72     1.51425   121.98087    -5.50894
   62    61 S   HC   _H4_    73     1.09583   109.43436   111.81761
   63    58 S   CT   _C4_    49     1.42261   117.67605  -170.69526
   64    63 S   HC   _H6_    50     1.09428   107.69099   174.89121
   65    63 S   HC   _H7_    51     1.09520   111.30372    57.15202
   66    63 S   HC   _H8_    52     1.09469   111.00416   -67.53654
   67    59 S   CA   _C18    61     1.39791   121.53562     4.35217
   68    61 S   OH   _O39    78     1.43524   109.95921  -131.96607
   69    68 S   HO   _H19    79     0.97263   108.04369    46.29043
   70    67 S   CA   _C19    62     1.39404   118.58829     2.16266
   71    70 S   HA   _H13    63     1.08723   119.64277   175.81203
   72    67 S   CT   _C21    67     1.50024   120.64278   178.44154
   73    72 S   HC   _H15    68     1.09538   110.88020    30.41030
   74    72 S   HC   _H16    69     1.09542   110.75972   150.14571
   75    55 S   CA   _C20    64     1.40815   121.52860   173.37694
   76    72 S   OH   _O37    70     1.41925   109.05709   -89.74461
   77    76 S   HO   _H17    71     0.97222   107.02241   179.71333
   78    75 S   OH   _O36    65     1.37158   119.41346     5.29580
   79    78 S   HO   _H14    66     0.97200   109.03750  -177.71278
  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
  19   2   1   1  15   5  14   7  12   6   1  12   9   4   8   3
   5   3   8   3   4   2  12   5  11   4  12   4   5   2   3   2
   1   1   9   1   1   8   3   5   3   2   2   1   1   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    47    51    52    55    61    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    56    47    48    51    52    55    57    75    61    62    39    40    42    43    68  
   35    36  
   36  
    0  
   38    41    44    45    53    56    58    47    51    52    55    61    39    40    42  
   41    44    56    51    39  
   40    42    43    68    69    41    47    51    52    55    57    59    61    62  
   42    43    68    51    57    61    62  
   44    45    46    49    53    54    56    58    63    47    48    51  
   43    68    51    57    61    62  
   61  
   45    46    49    50    53    56    58    47    48    51    52    55  
   46    49    50    53    54    56    47    48    51  
   49    50    53    47  
   48    51    52    55    57    75    49    56  
   51    52    55  
   50    53    54    56    58  
   53    54    56  
   52    55    57    59    70    75    78    61  
   55    57    75  
   54    56    58    63  
   56    58  
   57    59    60    67    70    71    75    78    79    61    62    68  
   58    63    64    65    66  
   59    60    67    70    75    78    72    61    62    68    69  
   63    64    65    66  
   60    67    70    71    75    72    73    74    76    61    62    68  
   67    70    72    61  
   62    68    69    67    75  
   68    69  
   64    65    66  
   65    66  
   66  
    0  
   70    71    75    78    72    73    74    76    77  
   69  
    0  
   71    75    78    79    72    73    74    76  
   75    78    72  
   73    74    76    77    75  
   74    76    77  
   76    77  
   78    79  
   77  
    0  
   79  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.077900   2.5000   1.7750   0.001000000  -0.843144165
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.197200   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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  1.522
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    56   469.000  1.400
   44    45   469.000  1.400
   44    47   310.000  1.470
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    58   450.000  1.364
   58    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    55   317.000  1.510
   55    57   469.000  1.400
   55    75   469.000  1.400
   57    59   469.000  1.400
   57    61   317.000  1.510
   59    60   367.000  1.080
   59    67   469.000  1.400
   67    70   469.000  1.400
   67    72   317.000  1.510
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    78   450.000  1.364
   78    79   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   320.000  1.410
   76    77   553.000  0.945
   61    62   340.000  1.090
   61    39   268.000  1.529
   61    68   320.000  1.410
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   68    69   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    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  110.18000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    55    70.00000  112.17500
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   37    41    44    60.00000  119.52600
   37    41    56    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    63.00000  120.00000
   41    44    47    60.00000  119.52600
   41    56    53    63.00000  120.00000
   41    56    58    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    75.00000  123.78400
   44    47    51    65.00000  115.47100
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    56    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    58    70.00000  120.00000
   56    41    44    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    58    63    75.00000  111.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   47    44    45    60.00000  119.52600
   47    51    52    35.00000  109.50000
   47    51    55    70.00000  110.93000
   51    33    37    63.00000  111.10000
   51    47    48    80.00000  120.40000
   51    55    57    70.00000  120.00000
   51    55    75    70.00000  120.00000
   55    51    52    35.00000  109.50000
   55    57    59    63.00000  120.00000
   55    57    61    70.00000  120.00000
   55    75    70    63.00000  120.00000
   55    75    78    70.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    67    63.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    39    70.00000  112.17500
   57    61    68    90.00000  112.51600
   59    67    70    63.00000  120.00000
   59    67    72    70.00000  120.00000
   67    59    60    35.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    75    63.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    76    90.00000  112.51600
   70    75    78    70.00000  120.00000
   75    55    57    63.00000  120.00000
   75    70    71    35.00000  120.00000
   75    78    79    35.00000  113.00000
   72    67    70    70.00000  120.00000
   72    76    77    55.00000  108.50000
   74    72    73    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    74    35.00000  109.50000
   61    57    59    70.00000  120.00000
   61    39    40    37.50000  110.70000
   61    39    42    50.00000  109.50000
   61    68    69    55.00000  108.50000
   39    33    37    63.00000  111.10000
   39    33    51    58.35000  112.70000
   39    61    62    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   68    61    62    35.00000  109.50000
   68    61    39    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    51    47   0.56750  1.0 1.0
   29    33    51    47  -0.07550 -1.0 2.0
   29    33    51    47   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55   0.56750  1.0 1.0
   29    33    51    55  -0.07550 -1.0 2.0
   29    33    51    55   0.20000  1.0 3.0
   29    33    39    61   0.44750  1.0 1.0
   29    33    39    61  -0.17800 -1.0 2.0
   29    33    39    61   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    37    41    44   2.26350  1.0 1.0
   33    37    41    44   0.76750 -1.0 2.0
   33    37    41    44   0.22500  1.0 3.0
   33    37    41    56   2.26350  1.0 1.0
   33    37    41    56   0.76750 -1.0 2.0
   33    37    41    56   0.22500  1.0 3.0
   33    51    55    57   0.04150 -1.0 2.0
   33    51    55    75   0.04150 -1.0 2.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   37    33    51    47   0.11950  1.0 1.0
   37    33    51    47   0.20300 -1.0 2.0
   37    33    51    47  -0.70800  1.0 3.0
   37    33    51    52  -0.11250  1.0 3.0
   37    33    51    55   0.56750  1.0 1.0
   37    33    51    55  -0.07550 -1.0 2.0
   37    33    51    55   0.20000  1.0 3.0
   37    33    39    61  -0.95700  1.0 1.0
   37    33    39    61  -0.18200 -1.0 2.0
   37    33    39    61   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.09450  1.0 1.0
   37    33    39    42  -1.12950 -1.0 2.0
   37    33    39    42   0.54000  1.0 3.0
   37    41    44    45   3.62500 -1.0 2.0
   37    41   -44    47   3.62500 -1.0 2.0
   37    41    56    53   3.62500 -1.0 2.0
   37    41    56    58   3.62500 -1.0 2.0
   38    37    41    44   1.05000 -1.0 2.0
   38    37    41    56   1.05000 -1.0 2.0
   41    44    45    46   3.62500 -1.0 2.0
   41    44    45    49   3.62500 -1.0 2.0
   41    44    47    48   1.05000 -1.0 2.0
   41    44    47    51   2.26350  1.0 1.0
   41    44    47    51   0.76750 -1.0 2.0
   41    44    47    51   0.22500  1.0 3.0
   41    56    58    63   1.63200 -1.0 2.0
   44    41    56    53   3.62500 -1.0 2.0
   44    41    56    58   3.62500 -1.0 2.0
   44    45    49    50   3.62500 -1.0 2.0
   44    45   -49    53   3.62500 -1.0 2.0
   44    47   -51    33   0.05850 -1.0 2.0
   44    47   -51    33   0.17250  1.0 3.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    55   0.65300  1.0 1.0
   44    47    51    55  -0.03850 -1.0 2.0
   44    47    51    55   0.33900  1.0 3.0
   45    44    47    48   1.05000 -1.0 2.0
   45    44    47    51   2.26350  1.0 1.0
   45    44    47    51   0.76750 -1.0 2.0
   45    44    47    51   0.22500  1.0 3.0
   45    49    53    54   3.62500 -1.0 2.0
   45    49    53    56   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    53   -56    41   3.62500 -1.0 2.0
   49    53    56    58   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   53    56    58    63   1.63200 -1.0 2.0
   54    53    56    41   3.62500 -1.0 2.0
   54    53    56    58   3.62500 -1.0 2.0
   56    41   -44    45   3.62500 -1.0 2.0
   56    41    44    47   3.62500 -1.0 2.0
   56    58    63    64   0.08050  1.0 3.0
   56    58    63    65   0.08050  1.0 3.0
   56    58    63    66   0.08050  1.0 3.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    49   3.62500 -1.0 2.0
   47    51    55    57   0.04300 -1.0 2.0
   47    51    55    75   0.04300 -1.0 2.0
   48    47    51    33   0.30150 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    55   0.30150 -1.0 2.0
   51    33    37    38   0.30150 -1.0 2.0
   51    33   -37    41   0.05850 -1.0 2.0
   51    33   -37    41   0.17250  1.0 3.0
   51    33    39    61   0.56750  1.0 1.0
   51    33    39    61  -0.07550 -1.0 2.0
   51    33    39    61   0.20000  1.0 3.0
   51    33    39    40   0.15000  1.0 3.0
   51    33    39    42   0.86500  1.0 1.0
   51    33    39    42  -0.17500 -1.0 2.0
   51    33    39    42   0.20800  1.0 3.0
   51    55    57    59   3.62500 -1.0 2.0
   51    55   -57    61   3.62500 -1.0 2.0
   51    55    75    70   3.62500 -1.0 2.0
   51    55    75    78   3.62500 -1.0 2.0
   52    51    55    57   0.00000  1.0 1.0
   52    51    55    75   0.00000  1.0 1.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57    59    67   3.62500 -1.0 2.0
   55    57    61    62   0.00000  1.0 1.0
   55    57    61    39   0.04150 -1.0 2.0
   55    57    61    68   0.14300 -1.0 2.0
   55    57    61    68   0.00300  1.0 3.0
   55    75    78    79   0.84100 -1.0 2.0
   57    55    75    70   3.62500 -1.0 2.0
   57    55    75    78   3.62500 -1.0 2.0
   57    59   -67    70   3.62500 -1.0 2.0
   57    59    67    72   3.62500 -1.0 2.0
   57    61   -39    33  -0.03700  1.0 1.0
   57    61   -39    33   0.37200 -1.0 2.0
   57    61   -39    33  -0.47300  1.0 3.0
   57    61    39    40   0.43200  1.0 3.0
   57    61    39    42   1.13150  1.0 1.0
   57    61    39    42  -1.01400 -1.0 2.0
   57    61    68    69   0.31900  1.0 1.0
   57    61    68    69  -0.11800 -1.0 2.0
   57    61    68    69   0.38750  1.0 3.0
   59    57    61    62   0.00000  1.0 1.0
   59    57    61    39   0.04150 -1.0 2.0
   59    57    61    68   0.14300 -1.0 2.0
   59    57    61    68   0.00300  1.0 3.0
   59    67    70    71   3.62500 -1.0 2.0
   59    67    70    75   3.62500 -1.0 2.0
   59    67    72    73   0.00000  1.0 1.0
   59    67    72    74   0.00000  1.0 1.0
   59    67    72    76   0.14300 -1.0 2.0
   59    67    72    76   0.00300  1.0 3.0
   60    59    67    70   3.62500 -1.0 2.0
   60    59    67    72   3.62500 -1.0 2.0
   67    70   -75    55   3.62500 -1.0 2.0
   67    70    75    78   3.62500 -1.0 2.0
   67    72    76    77   0.31900  1.0 1.0
   67    72    76    77  -0.11800 -1.0 2.0
   67    72    76    77   0.38750  1.0 3.0
   70    67    72    73   0.00000  1.0 1.0
   70    67    72    74   0.00000  1.0 1.0
   70    67    72    76   0.14300 -1.0 2.0
   70    67    72    76   0.00300  1.0 3.0
   70    75    78    79   0.84100 -1.0 2.0
   71    70    75    55   3.62500 -1.0 2.0
   71    70    75    78   3.62500 -1.0 2.0
   75    55   -57    59   3.62500 -1.0 2.0
   75    55    57    61   3.62500 -1.0 2.0
   72    67    70    71   3.62500 -1.0 2.0
   72    67    70    75   3.62500 -1.0 2.0
   73    72    76    77   0.19450  1.0 3.0
   74    72    76    77   0.19450  1.0 3.0
   61    57    59    60   3.62500 -1.0 2.0
   61    57    59    67   3.62500 -1.0 2.0
   61    39    42    43  -0.11600  1.0 1.0
   61    39    42    43  -0.09450 -1.0 2.0
   61    39    42    43   0.21250  1.0 3.0
   62    61    39    33   0.15000  1.0 3.0
   62    61    39    40   0.15000  1.0 3.0
   62    61    39    42   0.23400  1.0 3.0
   62    61    68    69   0.19450  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    51    47  -0.95700  1.0 1.0
   39    33    51    47  -0.18200 -1.0 2.0
   39    33    51    47   0.29450  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33   -51    55  -0.03700  1.0 1.0
   39    33   -51    55   0.37200 -1.0 2.0
   39    33   -51    55  -0.47300  1.0 3.0
   39    61    68    69  -0.11600  1.0 1.0
   39    61    68    69  -0.09450 -1.0 2.0
   39    61    68    69   0.21250  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   68    61    39    33   0.86500  1.0 1.0
   68    61    39    33  -0.17500 -1.0 2.0
   68    61    39    33   0.20800  1.0 3.0
   68    61    39    40   0.23400  1.0 3.0
   68    61    39    42   3.75450  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   44    56    41    37   4.00000 -1.0 2.0
   45    47    44    41   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   53    50    49    45   1.10000 -1.0 2.0
   56    54    53    49   1.10000 -1.0 2.0
   53    58    56    41   4.00000 -1.0 2.0
   44    51    47    48  10.50000 -1.0 2.0
   57    75    55    51   4.00000 -1.0 2.0
   59    61    57    55   4.00000 -1.0 2.0
   67    60    59    57   1.10000 -1.0 2.0
   70    72    67    59   4.00000 -1.0 2.0
   75    71    70    67   1.10000 -1.0 2.0
   70    78    75    55   4.00000 -1.0 2.0
END
