* LIGAND DATABASE FILE (OPLS2005)
*
001      88    92    159    265     477
    1     0 S   NP   _N1_     1    29.26692    93.57966   -24.79701
    2     1 S   H    _HN1     2     1.02951    86.07987    12.75965
    3     1 S   H    _H1_     3     1.02827    21.01318  -167.08784
    4     1 S   H    _H2_     4     1.02791   116.08462   -95.78639
    5     1 S   CT   _CA1     5     1.50132   119.97917   124.10045
    6     5 S   HC   _HA1     6     1.09576   105.16747    80.22128
    7     5 S   CO3  _C1_     7     1.53778   112.43855   -39.96089
    8     7 S   O2Z  _O11     8     1.26376   115.00993   -42.76999
    9     7 S   O2Z  _O12     9     1.26239   114.94078   136.22807
   10     5 S   CT   _CB1    10     1.53061   107.39395  -161.84106
   11    10 S   HC   HB11    11     1.09839   109.31938   -49.61238
   12    10 S   HC   HB12    12     1.09812   110.47259    66.97590
   13    10 S   CT   _CG1    13     1.53007   112.64523  -170.57806
   14    13 S   HC   HG11    14     1.09577   110.65952   -66.68991
   15    13 S   HC   HG12    15     1.09671   109.76743    52.56281
   16    13 S   C    _CD1    16     1.51808   112.10403   172.97541
   17    16 S   O    _OE1    17     1.22751   123.22459     8.69649
   18    16 S   N    _N2_    18     1.38648   111.75408  -171.23303
   19    18 S   H    _HN2    19     1.01570   119.06977     1.03268
   20    18 S   CT1  _CA2    20     1.46211   123.35722   177.40316
   21    20 S   HC   _HA2    21     1.09750   109.21679     6.17228
   22    20 S   C    _C2_    22     1.53647   108.98595  -109.30126
   23    22 S   O    _O2_    23     1.23084   122.27161  -149.89540
   24    20 S   CT   _CB2    32     1.53366   111.69624   128.01574
   25    24 S   HC   HB21    33     1.09546   110.04147    57.65552
   26    24 S   HC   HB22    34     1.09452   109.61633   176.58832
   27    22 S   N    _N3_    24     1.38327   113.85799    37.67013
   28    27 S   H    _HN3    25     1.01554   119.57765    -3.35760
   29    24 S   S    _SG2    35     1.83035   111.16375   -63.56703
   30    27 S   CT   _CA3    26     1.45276   123.25163   177.14110
   31    30 S   HC   HA31    27     1.09548   107.53140   -64.39367
   32    30 S   HC   HA32    28     1.09556   107.96963    52.04987
   33    29 S   CT   _C12    36     1.85211   100.76893  -178.61846
   34    33 S   OM   _O39    37     1.32140   107.83997   -74.61260
   35    30 S   CO3  _C3_    29     1.52964   114.06719   174.06291
   36    35 S   O2Z  _O31    30     1.26379   116.08181     0.36850
   37    35 S   O2Z  _O32    31     1.26426   114.41426  -179.59074
   38    33 S   CT   _C11    38     1.54670   111.01894   168.70019
   39    38 S   HC   _H9_    39     1.10429   108.02794   170.50533
   40    38 S   HC   _H10    40     1.10010   112.11801    55.02170
   41    38 S   CT   _C10    41     1.54219   114.09664   -72.65912
   42    41 S   HC   _H3_    42     1.10195   105.26381  -151.31698
   43    41 S   CA   _C9_    43     1.52790   113.11805    94.27136
   44    41 S   CA   _C14    56     1.51755   110.83120   -38.37970
   45    43 S   CA   _C4_    44     1.40749   118.49989    75.07103
   46    45 S   HA   _H6_    45     1.08802   120.02984    -1.17686
   47    44 S   CA   _C13    57     1.39844   120.53035    12.89183
   48    45 S   CA   _C5_    46     1.39663   121.21000   178.20943
   49    48 S   HA   _H7_    47     1.08604   119.35312  -179.55854
   50    47 S   CA   _C18    58     1.39685   120.41628  -178.33540
   51    50 S   HA   _H11    59     1.08726   119.44412   179.09022
   52    33 S   OS   _O33    88     1.43526   111.95524    43.94506
   53    48 S   CA   _C6_    48     1.39136   119.62462     0.10087
   54    50 S   CA   _C17    60     1.39330   120.11143    -1.34654
   55    53 S   CA   _C7_    49     1.39117   120.06679     0.36369
   56    53 S   OH   _O41    54     1.36687   120.50008  -179.31386
   57    56 S   HO   _H22    55     0.97213   108.69784    -1.86697
   58    54 S   CA   _C16    61     1.39829   121.06802     0.32143
   59    54 S   OH   _O34    86     1.36938   119.80790  -179.56299
   60    59 S   HO   _H12    87     0.97246   108.71814     0.14804
   61    43 S   CA   _C8_    50     1.40474   123.28009  -106.24461
   62    61 S   HA   _H8_    51     1.08663   120.36687     1.43067
   63    55 S   OH   _O40    52     1.36779   119.24326  -179.94766
   64    63 S   HO   _H21    53     0.97219   108.62155  -178.33693
   65    44 S   CA   _C15    62     1.41539   120.78859  -165.52707
   66    65 S   OS   _O35    63     1.37252   116.02133    -1.19272
   67    66 S   CT   _C21    64     1.43211   116.93348   168.87098
   68    67 S   HC   _H5_    65     1.09944   106.42380   -76.18753
   69    67 S   CA   _C22    66     1.51819   108.40315   168.19665
   70    67 S   CT   _C20    79     1.53225   112.41149    43.54529
   71    70 S   HC   _H4_    80     1.09626   110.85939   178.92772
   72    69 S   CA   _C23    67     1.40330   119.99218   140.81166
   73    72 S   HA   _H15    68     1.08750   120.32796    -0.14671
   74    58 S   CT   _C19    81     1.50704   120.62473  -178.96675
   75    74 S   HC   _H13    82     1.09669   108.08260   -76.13451
   76    74 S   HC   _H14    83     1.09635   109.77273    42.10249
   77    70 S   OH   _O38    84     1.42958   110.70034    60.18686
   78    77 S   HO   _H20    85     0.97234   107.64317   179.44222
   79    72 S   CA   _C24    69     1.39729   120.69896  -179.96574
   80    79 S   HA   _H16    70     1.08626   119.31883   179.77706
   81    79 S   CA   _C25    71     1.39372   119.78263    -0.16432
   82    81 S   CA   _C26    72     1.39150   120.15369    -0.26319
   83    81 S   OH   _O37    77     1.36708   120.47935   179.84174
   84    83 S   HO   _H19    78     0.97198   108.72314    -0.03956
   85    69 S   CA   _C27    73     1.40492   121.25876   -39.94152
   86    85 S   HA   _H17    74     1.08662   119.78979    -0.34718
   87    82 S   OH   _O36    75     1.36752   119.50659  -179.90309
   88    87 S   HO   _H18    76     0.97276   108.69579  -179.89165
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  11   6   2   1   1  11   6   5  15   6  12  12   8   4   8   7
   3   8   4   2   7   9   6   3   1  11   3   1   3   1   1   1
   8   9  15   7  13   8   5   8   4   4   2   1   1   1   7   3
   7   6   3   1   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    50    52  
   38    39    40    41    47    52  
   36    37  
   37  
    0  
   39    40    41    42    43    45    61    44    47    65    52  
   40    41    42    43    44    52  
   41    42    43    44    52  
   42    43    45    46    48    55    61    62    44    47    50    58    65    66    52  
   43    45    61    44    47    65  
   45    46    48    49    53    55    61    62    63    44    47    65  
   47    50    51    54    58    65    66    67    74    52    45    61  
   46    48    49    53    55    61    62    56  
   48    49    53    61  
   50    51    54    58    65    66    59    52  
   49    53    55    61    63    56    57  
   53    55    56  
   51    54    58    65    74    59    60    52  
   54    58    59    52  
   54    65  
   55    61    62    63    64    56    57  
   58    65    66    70    74    75    76    59    60  
   61    62    63    64    56    57  
   57    61    63  
    0  
   65    66    67    70    71    74    75    76    77    59    60  
   60    65    74  
    0  
   62    63    64  
   63  
   64  
    0  
   66    67    68    69    70    74    75    76  
   67    68    69    72    85    70    71    74    77  
   68    69    72    73    79    82    85    86    70    71    74    75    76    77    78  
   69    72    85    70    71    74    77  
   72    73    79    80    81    82    85    86    87    70    71    74    77  
   71    74    75    76    77    78    72    85  
   74    75    76    77    78  
   73    79    80    81    82    85    86    83  
   79    80    81    85  
   75    76    77    78  
   76    77  
   77  
   78  
    0  
   80    81    82    85    87    83    84  
   81    82    83  
   82    85    86    87    88    83    84  
   85    86    87    88    83    84  
   84    85    87  
    0  
   86    87    88  
   87  
   88  
    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  -0.120000   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   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    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    52   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   317.000  1.510
   41    44   317.000  1.510
   43    45   469.000  1.400
   43    61   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    55   469.000  1.400
   53    56   450.000  1.364
   55    61   469.000  1.400
   55    63   450.000  1.364
   61    62   367.000  1.080
   63    64   553.000  0.945
   56    57   553.000  0.945
   44    47   469.000  1.400
   44    65   469.000  1.400
   47    50   469.000  1.400
   47    52   450.000  1.364
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    58   469.000  1.400
   54    59   450.000  1.364
   58    65   469.000  1.400
   58    74   317.000  1.510
   65    66   450.000  1.364
   66    67   320.000  1.410
   67    68   340.000  1.090
   67    69   317.000  1.510
   67    70   268.000  1.529
   69    72   469.000  1.400
   69    85   469.000  1.400
   72    73   367.000  1.080
   72    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   469.000  1.400
   81    83   450.000  1.364
   82    85   469.000  1.400
   82    87   450.000  1.364
   85    86   367.000  1.080
   87    88   553.000  0.945
   83    84   553.000  0.945
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   77    78   553.000  0.945
   59    60   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    52    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    52    47    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    70.00000  112.17500
   38    41    44    70.00000  112.17500
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    45    70.00000  120.00000
   41    43    61    70.00000  120.00000
   41    44    47    70.00000  120.00000
   41    44    65    70.00000  120.00000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  120.00000
   43    45    48    63.00000  120.00000
   43    61    55    63.00000  120.00000
   43    61    62    35.00000  120.00000
   45    48    49    35.00000  120.00000
   45    48    53    63.00000  120.00000
   48    45    46    35.00000  120.00000
   48    53    55    63.00000  120.00000
   48    53    56    70.00000  120.00000
   53    48    49    35.00000  120.00000
   53    55    61    63.00000  120.00000
   53    55    63    70.00000  120.00000
   53    56    57    35.00000  113.00000
   55    61    62    35.00000  120.00000
   55    63    64    35.00000  113.00000
   61    43    45    63.00000  120.00000
   63    55    61    70.00000  120.00000
   56    53    55    70.00000  120.00000
   44    41    42    35.00000  109.50000
   44    41    43    70.00000  112.04700
   44    47    50    63.00000  120.00000
   44    47    52    70.00000  120.00000
   44    65    58    63.00000  120.00000
   44    65    66    70.00000  120.00000
   47    50    51    35.00000  120.00000
   47    50    54    63.00000  120.00000
   50    54    58    63.00000  120.00000
   50    54    59    70.00000  120.00000
   54    50    51    35.00000  120.00000
   54    58    65    63.00000  120.00000
   54    58    74    70.00000  120.00000
   54    59    60    35.00000  113.00000
   58    65    66    70.00000  120.00000
   58    74    70    70.00000  112.17500
   58    74    75    35.00000  109.50000
   58    74    76    35.00000  109.50000
   65    44    47    63.00000  120.00000
   65    66    67    75.00000  111.00000
   66    67    68    35.00000  109.50000
   66    67    69    85.00000  111.85700
   66    67    70    50.00000  109.50000
   67    69    72    70.00000  120.00000
   67    69    85    70.00000  120.00000
   67    70    71    37.50000  110.70000
   67    70    74    58.35000  112.70000
   67    70    77    50.00000  109.50000
   69    67    68    35.00000  109.50000
   69    72    73    35.00000  120.00000
   69    72    79    63.00000  120.00000
   69    85    82    63.00000  120.00000
   69    85    86    35.00000  120.00000
   72    79    80    35.00000  120.00000
   72    79    81    63.00000  120.00000
   79    72    73    35.00000  120.00000
   79    81    82    63.00000  120.00000
   79    81    83    70.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    85    63.00000  120.00000
   81    82    87    70.00000  120.00000
   81    83    84    35.00000  113.00000
   82    85    86    35.00000  120.00000
   82    87    88    35.00000  113.00000
   85    69    72    63.00000  120.00000
   87    82    85    70.00000  120.00000
   83    81    82    70.00000  120.00000
   70    67    68    37.50000  110.70000
   70    67    69    70.00000  112.17500
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    77    78    55.00000  108.50000
   74    58    65    70.00000  120.00000
   74    70    71    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    70    71    35.00000  109.50000
   77    70    74    50.00000  109.50000
   59    54    58    70.00000  120.00000
   52    33    34   110.00000  112.65000
   52    33    38    50.00000  109.50000
   52    47    50    70.00000  120.00000
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    52   0.13850  1.0 1.0
   24    29    33    52  -1.34450 -1.0 2.0
   24    29    33    52   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   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    52    47   0.14700  1.0 1.0
   29    33    52    47  -1.16150 -1.0 2.0
   29    33    52    47   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43  -0.03700  1.0 1.0
   33    38    41    43   0.37200 -1.0 2.0
   33    38    41    43  -0.47300  1.0 3.0
   33    38    41    44  -0.03700  1.0 1.0
   33    38    41    44   0.37200 -1.0 2.0
   33    38    41    44  -0.47300  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    52    47  -0.25600  1.0 1.0
   34    33    52    47  -0.40050 -1.0 2.0
   34    33    52    47   0.34700  1.0 3.0
   38    33    52    47  -0.32850  1.0 1.0
   38    33    52    47  -0.35800 -1.0 2.0
   38    33    52    47   0.33950  1.0 3.0
   38    41    43    45   0.04150 -1.0 2.0
   38    41    43    61   0.04150 -1.0 2.0
   38    41   -44    47   0.04150 -1.0 2.0
   38    41    44    65   0.04150 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.43200  1.0 3.0
   39    38    41    44   0.43200  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.43200  1.0 3.0
   40    38    41    44   0.43200  1.0 3.0
   41    43    45    46   3.62500 -1.0 2.0
   41    43    45    48   3.62500 -1.0 2.0
   41    43    61    55   3.62500 -1.0 2.0
   41    43    61    62   3.62500 -1.0 2.0
   41    44    47    50   3.62500 -1.0 2.0
   41    44    47    52   3.62500 -1.0 2.0
   41    44    65    58   3.62500 -1.0 2.0
   41    44    65    66   3.62500 -1.0 2.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    61   0.00000  1.0 1.0
   42    41    44    47   0.00000  1.0 1.0
   42    41    44    65   0.00000  1.0 1.0
   43    41    44    47   0.04300 -1.0 2.0
   43    41    44    65   0.04300 -1.0 2.0
   43    45    48    49   3.62500 -1.0 2.0
   43    45    48    53   3.62500 -1.0 2.0
   45    43    61    55   3.62500 -1.0 2.0
   45    43    61    62   3.62500 -1.0 2.0
   45    48   -53    55   3.62500 -1.0 2.0
   45    48    53    56   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   46    45    48    53   3.62500 -1.0 2.0
   48    53    55    61   3.62500 -1.0 2.0
   48    53    55    63   3.62500 -1.0 2.0
   48    53    56    57   0.84100 -1.0 2.0
   49    48    53    55   3.62500 -1.0 2.0
   49    48    53    56   3.62500 -1.0 2.0
   53    55   -61    43   3.62500 -1.0 2.0
   53    55    61    62   3.62500 -1.0 2.0
   53    55    63    64   0.84100 -1.0 2.0
   55    53    56    57   0.84100 -1.0 2.0
   61    43    45    46   3.62500 -1.0 2.0
   61    43   -45    48   3.62500 -1.0 2.0
   61    55    63    64   0.84100 -1.0 2.0
   63    55    61    43   3.62500 -1.0 2.0
   63    55    61    62   3.62500 -1.0 2.0
   56    53    55    61   3.62500 -1.0 2.0
   56    53    55    63   3.62500 -1.0 2.0
   44    41    43    45   0.04300 -1.0 2.0
   44    41    43    61   0.04300 -1.0 2.0
   44    47    50    51   3.62500 -1.0 2.0
   44    47    50    54   3.62500 -1.0 2.0
   44    47   -52    33   1.63200 -1.0 2.0
   44    65    66    67   1.63200 -1.0 2.0
   47    44    65    58   3.62500 -1.0 2.0
   47    44    65    66   3.62500 -1.0 2.0
   47    50   -54    58   3.62500 -1.0 2.0
   47    50    54    59   3.62500 -1.0 2.0
   50    47    52    33   1.63200 -1.0 2.0
   50    54    58    65   3.62500 -1.0 2.0
   50    54    58    74   3.62500 -1.0 2.0
   50    54    59    60   0.84100 -1.0 2.0
   51    50    54    58   3.62500 -1.0 2.0
   51    50    54    59   3.62500 -1.0 2.0
   54    58   -65    44   3.62500 -1.0 2.0
   54    58    65    66   3.62500 -1.0 2.0
   54    58    74    70   0.04150 -1.0 2.0
   54    58    74    75   0.00000  1.0 1.0
   54    58    74    76   0.00000  1.0 1.0
   58    54    59    60   0.84100 -1.0 2.0
   58    65    66    67   1.63200 -1.0 2.0
   65    44   -47    50   3.62500 -1.0 2.0
   65    44    47    52   3.62500 -1.0 2.0
   65    58    74    70   0.04150 -1.0 2.0
   65    58    74    75   0.00000  1.0 1.0
   65    58    74    76   0.00000  1.0 1.0
   65    66    67    68   0.08050  1.0 3.0
   65    66    67    69  -0.50150  1.0 1.0
   65    66    67    69  -0.23050 -1.0 2.0
   65    66    67    69   0.70600  1.0 3.0
   65    66   -67    70  -0.32850  1.0 1.0
   65    66   -67    70  -0.35800 -1.0 2.0
   65    66   -67    70   0.33950  1.0 3.0
   66    67    69    72   0.64500  1.0 1.0
   66    67    69    72   0.14800 -1.0 2.0
   66    67    69    72   0.20650  1.0 3.0
   66    67    69    85   0.64500  1.0 1.0
   66    67    69    85   0.14800 -1.0 2.0
   66    67    69    85   0.20650  1.0 3.0
   66    67    70    71   0.23400  1.0 3.0
   66    67    70    74   0.62750  1.0 1.0
   66    67    70    74  -0.30950 -1.0 2.0
   66    67    70    74   0.27300  1.0 3.0
   66    67    70    77   3.69350  1.0 1.0
   66    67    70    77  -1.82950 -1.0 2.0
   67    69    72    73   3.62500 -1.0 2.0
   67    69    72    79   3.62500 -1.0 2.0
   67    69    85    82   3.62500 -1.0 2.0
   67    69    85    86   3.62500 -1.0 2.0
   67    70   -74    58  -0.03700  1.0 1.0
   67    70   -74    58   0.37200 -1.0 2.0
   67    70   -74    58  -0.47300  1.0 3.0
   67    70    74    75   0.15000  1.0 3.0
   67    70    74    76   0.15000  1.0 3.0
   67    70    77    78  -0.11600  1.0 1.0
   67    70    77    78  -0.09450 -1.0 2.0
   67    70    77    78   0.21250  1.0 3.0
   68    67    69    72   0.00000  1.0 1.0
   68    67    69    85   0.00000  1.0 1.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    74   0.15000  1.0 3.0
   68    67    70    77   0.23400  1.0 3.0
   69    67    70    71   0.43200  1.0 3.0
   69    67    70    74  -0.03700  1.0 1.0
   69    67    70    74   0.37200 -1.0 2.0
   69    67    70    74  -0.47300  1.0 3.0
   69    67    70    77   1.13150  1.0 1.0
   69    67    70    77  -1.01400 -1.0 2.0
   69    72    79    80   3.62500 -1.0 2.0
   69    72    79    81   3.62500 -1.0 2.0
   72    69    85    82   3.62500 -1.0 2.0
   72    69    85    86   3.62500 -1.0 2.0
   72    79   -81    82   3.62500 -1.0 2.0
   72    79    81    83   3.62500 -1.0 2.0
   73    72    79    80   3.62500 -1.0 2.0
   73    72    79    81   3.62500 -1.0 2.0
   79    81    82    85   3.62500 -1.0 2.0
   79    81    82    87   3.62500 -1.0 2.0
   79    81    83    84   0.84100 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    82   -85    69   3.62500 -1.0 2.0
   81    82    85    86   3.62500 -1.0 2.0
   81    82    87    88   0.84100 -1.0 2.0
   82    81    83    84   0.84100 -1.0 2.0
   85    69    72    73   3.62500 -1.0 2.0
   85    69   -72    79   3.62500 -1.0 2.0
   85    82    87    88   0.84100 -1.0 2.0
   87    82    85    69   3.62500 -1.0 2.0
   87    82    85    86   3.62500 -1.0 2.0
   83    81    82    85   3.62500 -1.0 2.0
   83    81    82    87   3.62500 -1.0 2.0
   70    67    69    72   0.04150 -1.0 2.0
   70    67    69    85   0.04150 -1.0 2.0
   71    70    74    58   0.43200  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    77    78   0.19450  1.0 3.0
   74    58    65    44   3.62500 -1.0 2.0
   74    58   -65    66   3.62500 -1.0 2.0
   74    70    77    78  -0.11600  1.0 1.0
   74    70    77    78  -0.09450 -1.0 2.0
   74    70    77    78   0.21250  1.0 3.0
   77    70    74    58   1.13150  1.0 1.0
   77    70    74    58  -1.01400 -1.0 2.0
   77    70    74    75   0.23400  1.0 3.0
   77    70    74    76   0.23400  1.0 3.0
   59    54    58    65   3.62500 -1.0 2.0
   59    54    58    74   3.62500 -1.0 2.0
   52    33    38    39   0.23400  1.0 3.0
   52    33    38    40   0.23400  1.0 3.0
   52    33   -38    41   0.62750  1.0 1.0
   52    33   -38    41  -0.30950 -1.0 2.0
   52    33   -38    41   0.27300  1.0 3.0
   52    47    50    51   3.62500 -1.0 2.0
   52    47    50    54   3.62500 -1.0 2.0
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
   45    61    43    41   4.00000 -1.0 2.0
   48    46    45    43   1.10000 -1.0 2.0
   53    49    48    45   1.10000 -1.0 2.0
   55    56    53    48   4.00000 -1.0 2.0
   61    63    55    53   4.00000 -1.0 2.0
   55    62    61    43   1.10000 -1.0 2.0
   47    65    44    41   4.00000 -1.0 2.0
   50    52    47    44   4.00000 -1.0 2.0
   54    51    50    47   1.10000 -1.0 2.0
   58    59    54    50   4.00000 -1.0 2.0
   65    74    58    54   4.00000 -1.0 2.0
   58    66    65    44   4.00000 -1.0 2.0
   72    85    69    67   4.00000 -1.0 2.0
   79    73    72    69   1.10000 -1.0 2.0
   81    80    79    72   1.10000 -1.0 2.0
   82    83    81    79   4.00000 -1.0 2.0
   85    87    82    81   4.00000 -1.0 2.0
   82    86    85    69   1.10000 -1.0 2.0
END
