REMARK  Name = BDB009013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.905  -1.636   0.950  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.482  -1.549   1.079  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.326  -2.502   0.482  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.757  -3.567  -0.226  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.627  -3.671  -0.346  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.453  -2.710   0.240  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.508   0.507   2.118  0.00  0.00    +0.225 C 
ATOM      8  N   LIG    1       -1.807  -0.702   1.500  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1       -2.790  -0.897   1.350  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -0.380   0.961   2.285  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -2.767   1.231   2.639  0.00  0.00    +0.105 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.859   1.416   1.592  0.00  0.00    -0.036 A 
ATOM     13  C   LIG    1       -5.203   1.237   1.954  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -6.221   1.396   1.013  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.909   1.742  -0.300  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.581   1.933  -0.672  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.561   1.775   0.268  0.00  0.00    +0.004 A 
ENDBRANCH  11  12
BRANCH  11  19
ATOM     18  C   LIG    1       -1.969   3.701   2.532  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -2.445   2.538   3.394  0.00  0.00    +0.014 C 
ENDBRANCH  11  19
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        2.826  -2.386   0.620  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.539  -2.232  -0.721  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        3.526  -0.909  -1.424  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        2.864   0.293  -0.808  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        3.249   1.611  -1.487  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        3.224   1.474  -3.003  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        4.191   0.384  -3.470  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        4.139  -0.855  -2.619  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        4.809  -2.060  -3.168  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1        5.388  -2.043  -4.250  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        4.747  -3.186  -2.393  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1        5.199  -4.020  -2.751  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1        4.122  -3.296  -1.192  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6