REMARK  Name = BDB018674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.521  -0.628   0.554  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -0.276   0.403   0.031  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -1.564   0.138  -0.437  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1       -2.339   1.176  -0.963  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -1.911   2.073  -1.161  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -3.651   1.040  -1.339  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1       -4.367  -0.224  -0.858  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1       -4.804  -0.027   0.606  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1       -6.269   0.277   0.572  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -6.687   0.412  -0.843  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -3.429  -1.425  -1.025  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -5.688  -0.447  -1.601  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1       -4.212   1.941  -1.958  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -2.079  -1.160  -0.415  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -1.293  -2.197   0.089  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -0.010  -1.929   0.577  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        4.104   0.589   0.758  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        2.817   0.329   0.272  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        1.876  -0.353   1.061  0.00  0.00    -0.017 A 
ATOM     20  C   LIG    1        2.264  -0.755   2.352  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        3.542  -0.475   2.847  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        4.462   0.206   2.054  0.00  0.00    +0.013 A 
BRANCH  17  25
ATOM     23  C   LIG    1        7.286   1.682  -1.007  0.00  0.00    +0.132 C 
ATOM     24  N   LIG    1        6.333   0.848  -0.295  0.00  0.00    -0.304 N 
ATOM     25  C   LIG    1        5.046   1.346  -0.096  0.00  0.00    +0.246 C 
ATOM     26  O   LIG    1        4.643   2.400  -0.582  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1        6.720  -0.543  -0.105  0.00  0.00    +0.132 C 
ENDBRANCH  17  25
ENDBRANCH   1  19
BRANCH   9  28
ATOM     28  C   LIG    1       -6.936   0.819   1.600  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -7.508   1.284   2.492  0.00  0.00    -0.174 NA
ENDBRANCH   9  28
TORSDOF 3