REMARK  Name = BDB009089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.445  -1.282   1.653  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.468  -0.236   1.853  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.726  -0.466   2.434  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.052  -1.763   2.846  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.151  -2.808   2.650  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.089  -2.570   2.052  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.742  -1.798   0.801  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.674  -0.953   1.044  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        1.800   0.025   0.823  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.844  -2.973   1.129  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        6.102  -0.030  -1.220  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        4.801   0.345  -1.579  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.698  -0.223  -0.928  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        3.890  -1.164   0.092  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        5.188  -1.553   0.439  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        6.288  -0.983  -0.209  0.00  0.00    +0.012 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.126   1.511  -3.026  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1        7.310   0.548  -1.883  0.00  0.00    +0.160 C 
ATOM     19  O   LIG    1        8.432   0.236  -1.489  0.00  0.00    -0.292 OA
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.698   0.671   2.647  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.958   1.487   1.382  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.826   0.924   0.300  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.497  -0.412   0.461  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.597  -0.665  -0.576  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.144  -0.247  -1.969  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.776   1.238  -2.002  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -3.970   1.671  -0.808  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.314   2.999  -0.902  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -3.433   3.713  -1.892  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.573   3.379   0.184  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -2.125   4.288   0.144  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.375   2.648   1.312  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5