REMARK  Name = BDB005214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.798   2.377  -1.930  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        2.452   1.245  -1.134  0.00  0.00    +0.109 C 
ATOM      3  N   LIG    1        1.660   0.833   0.018  0.00  0.00    -0.260 N 
ATOM      4  C   LIG    1        2.308   1.151   1.220  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        1.923   0.991   2.364  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        3.639   1.702   0.895  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        4.694   2.138   1.692  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        5.843   2.613   1.023  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.932   2.633  -0.378  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.868   2.187  -1.153  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        3.726   1.734  -0.505  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.421   0.134  -0.102  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -0.011  -0.369  -1.335  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.228  -1.058  -1.457  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -2.070  -1.275  -0.360  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -1.629  -0.785   0.872  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -0.412  -0.092   0.998  0.00  0.00    +0.025 A 
BRANCH  15  18
ATOM     18  N   LIG    1       -3.273  -1.978  -0.541  0.00  0.00    -0.330 N 
ATOM     19  C   LIG    1       -4.233  -1.263  -1.404  0.00  0.00    +0.105 C 
ATOM     20  C   LIG    1       -5.338  -2.220  -1.853  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -6.011  -2.895  -0.662  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -4.973  -3.570   0.228  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -3.884  -2.585   0.652  0.00  0.00    +0.105 C 
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  24
ATOM     24  C   LIG    1        4.763   2.168   3.181  0.00  0.00    +0.242 C 
ATOM     25  O   LIG    1        5.613   2.846   3.752  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        3.902   1.420   3.920  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        3.038   1.044   3.531  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        3.911   1.570   4.919  0.00  0.00    +0.145 HD
ENDBRANCH   7  24
TORSDOF 3