REMARK  Name = BDB006902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.587   0.340  -1.333  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.010   1.119  -0.351  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.397   1.283  -0.164  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.642   2.147   0.895  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        2.946   2.427   1.233  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.997   1.892   0.574  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.740   1.050  -0.469  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        0.370   2.671   1.500  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        0.294   2.413   3.007  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.204   4.166   1.203  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.443   0.718  -0.865  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.688   1.833   0.734  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.038  -0.272  -2.204  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        4.924   0.416  -1.196  0.00  0.00    +0.065 C 
ATOM     15  C   LIG    1        6.186   1.288  -1.145  0.00  0.00    +0.019 C 
BRANCH  14  16
ATOM     16  C   LIG    1        5.218  -0.998  -0.709  0.00  0.00    -0.039 A 
ATOM     17  C   LIG    1        5.584  -1.248   0.623  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        5.851  -2.547   1.056  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.756  -3.614   0.165  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.391  -3.381  -1.160  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.123  -2.082  -1.595  0.00  0.00    +0.004 A 
ENDBRANCH  14  16
ENDBRANCH   7  14
BRANCH   1  22
ATOM     22  C   LIG    1       -2.127   0.281  -1.330  0.00  0.00    +0.181 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -4.122  -0.360  -0.012  0.00  0.00    +0.097 C 
ATOM     24  N   LIG    1       -2.644  -0.462  -0.154  0.00  0.00    -0.286 NA
ATOM     25  C   LIG    1       -2.311  -1.909  -0.257  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -3.249  -2.785  -1.153  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1       -3.959  -3.862  -0.326  0.00  0.00    +0.025 C 
ATOM     28  N   LIG    1       -4.225  -2.027  -1.947  0.00  0.00    -0.311 NA
ATOM     29  H   LIG    1       -4.890  -2.644  -2.408  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1       -4.929  -0.986  -1.187  0.00  0.00    +0.102 C 
BRANCH  23  31
ATOM     31  C   LIG    1       -4.627   1.067   0.308  0.00  0.00    +0.179 C 
BRANCH  31  33
ATOM     32  C   LIG    1       -6.292   0.780   1.986  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1       -6.023   1.091   0.625  0.00  0.00    -0.381 OA
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6