REMARK  Name = BDB012931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.641  -1.651  -0.220  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.475  -0.989   0.142  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.818  -1.614  -0.112  0.00  0.00    +0.121 C 
ATOM      4  C   LIG    1        1.835  -0.608   0.416  0.00  0.00    +0.094 C 
ATOM      5  C   LIG    1        1.151   0.725   0.106  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -0.320   0.438   0.380  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -1.600  -2.759  -0.750  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.981  -0.209   0.023  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -4.440   0.248   1.160  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.208  -0.285   1.168  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.630  -0.136   1.986  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.894  -0.990   0.042  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -4.059  -1.001  -0.700  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.593   1.628  -0.554  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.396   0.123  -0.358  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -7.401  -0.424   0.657  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  C   LIG    1        3.199  -0.754  -0.236  0.00  0.00    +0.222 C 
ATOM     18  N   LIG    1        4.096   0.204   0.210  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1        3.770   0.844   0.923  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        3.436  -1.653  -1.033  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1        5.439   0.377  -0.189  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        6.162   1.405   0.433  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        7.496   1.646   0.093  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        8.120   0.863  -0.873  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.410  -0.159  -1.498  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.074  -0.401  -1.158  0.00  0.00    +0.023 A 
ENDBRANCH  18  21
ENDBRANCH   4  17
TORSDOF 4