REMARK  Name = BDB009156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.026  -1.039   1.194  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.083  -0.182   1.226  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.390  -0.688   1.308  0.00  0.00    -0.045 A 
ATOM      4  C   LIG    1       -1.582  -2.072   1.349  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.484  -2.930   1.319  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.814  -2.416   1.242  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.736  -2.278   1.066  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        3.532  -1.070   1.067  0.00  0.00    +0.218 C 
ATOM      9  N   LIG    1        2.300  -0.438   1.113  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        2.308   0.575   1.100  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.666  -0.066   0.971  0.00  0.00    +0.104 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.032  -0.719   1.129  0.00  0.00    +0.089 C 
BRANCH  12  13
ATOM     13  C   LIG    1        7.110   0.250   0.702  0.00  0.00    +0.164 C 
ATOM     14  O   LIG    1        7.412   1.204   1.418  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1        7.799   0.070  -0.611  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        9.011   0.743  -0.818  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        9.693   0.615  -2.030  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        9.165  -0.181  -3.044  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.955  -0.846  -2.850  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        7.269  -0.720  -1.639  0.00  0.00    +0.011 A 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -2.571   0.249   1.318  0.00  0.00    +0.041 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.007   0.614  -0.099  0.00  0.00    +0.062 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.226   1.520  -0.048  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -5.591   0.929  -0.196  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -5.777  -0.554  -0.357  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -7.227  -1.007  -0.158  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -8.199  -0.068  -0.862  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -8.058   1.362  -0.337  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -6.625   1.787  -0.167  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -6.383   3.237   0.037  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -7.304   4.047   0.079  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -5.075   3.611   0.182  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -4.887   4.599   0.322  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -3.997   2.784   0.138  0.00  0.00    -0.176 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 8