REMARK  Name = BDB012839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.842   0.174  -0.429  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.050   0.006   0.799  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.374   0.410   0.341  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.444   0.384   1.224  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.289   0.033   2.392  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.436   0.395  -1.117  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.113  -0.217  -1.563  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -2.962  -4.218  -0.436  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.118  -2.729  -0.352  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -1.992  -1.985  -0.432  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -2.106  -0.638  -0.360  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.335  -0.009  -0.200  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -4.500  -0.778  -0.117  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -4.380  -2.167  -0.196  0.00  0.00    +0.033 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.806  -0.129   0.051  0.00  0.00    +0.093 A 
ATOM     16  N   LIG    1       -5.927   1.210   0.055  0.00  0.00    -0.171 NA
ATOM     17  N   LIG    1       -7.239   1.437   0.230  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -7.722   2.795   0.285  0.00  0.00    +0.172 C 
ATOM     19  C   LIG    1       -7.978   0.301   0.338  0.00  0.00    +0.108 A 
ATOM     20  C   LIG    1       -7.082  -0.735   0.227  0.00  0.00    +0.049 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.737   0.782   0.727  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1        3.985   1.805  -0.143  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1        3.314   2.442  -0.556  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        5.281   1.967  -0.451  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        5.910   1.064   0.312  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        4.987   0.313   1.079  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1        7.407   0.956   0.281  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        7.862  -0.421  -0.207  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1        8.023   1.272   1.645  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4