REMARK  Name = BDB009774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.867   3.048  -2.432  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1       -0.534   2.326  -1.097  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1       -1.538   1.178  -0.937  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1       -2.699   1.342  -1.327  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1       -1.144   0.015  -0.271  0.00  0.00    -0.288 N 
ATOM      6  C   LIG    1        0.278  -0.412  -0.284  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1        1.289   0.763  -0.201  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1        0.916   1.844  -1.215  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        0.604  -1.425   0.820  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        1.205  -2.653   0.494  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        1.527  -3.574   1.494  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        1.248  -3.276   2.826  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        1.645  -4.412   4.056  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        0.650  -2.067   3.168  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.331  -1.143   2.170  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1        2.744   0.340  -0.408  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        3.180  -0.272  -1.595  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        4.513  -0.660  -1.742  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        5.023  -1.416  -3.201  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        5.430  -0.446  -0.717  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        5.012   0.163   0.464  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.679   0.553   0.618  0.00  0.00    +0.004 A 
ENDBRANCH   7  16
BRANCH   5  23
ATOM     23  C   LIG    1       -2.172  -1.065  -0.153  0.00  0.00    +0.105 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.388  -0.571   0.614  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.428  -1.552   1.108  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1       -4.797  -0.538   0.065  0.00  0.00    +0.006 C 
ENDBRANCH  23  24
BRANCH  23  27
ATOM     27  C   LIG    1       -2.452  -1.798  -1.491  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -2.800  -0.955  -2.585  0.00  0.00    -0.393 OA
ATOM     29  H   LIG    1       -3.145  -0.115  -2.208  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH   5  23
BRANCH   2  30
ATOM     30  C   LIG    1       -0.768   3.371   0.017  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -0.513   2.921   1.426  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1       -1.174   2.131   2.075  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        0.584   3.492   1.959  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1        0.605   3.166   2.884  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 9