REMARK  Name = BDB009653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.635   3.515   0.690  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1        1.273   2.042   1.011  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1       -0.233   1.882   0.805  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1       -0.953   2.719   1.364  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1       -0.735   0.766   0.154  0.00  0.00    -0.290 N 
ATOM      6  C   LIG    1        0.133  -0.278  -0.462  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1        1.609  -0.263   0.015  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1        2.104   1.177   0.058  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -0.434  -1.692  -0.286  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.654  -2.238   0.989  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -1.154  -3.534   1.132  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.435  -4.297   0.003  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -2.052  -5.893   0.178  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -1.219  -3.776  -1.270  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.719  -2.479  -1.415  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1        2.525  -1.125  -0.852  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        3.121  -2.269  -0.295  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.946  -3.085  -1.070  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        4.665  -4.484  -0.371  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        4.192  -2.777  -2.405  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.607  -1.646  -2.971  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.778  -0.826  -2.201  0.00  0.00    +0.004 A 
ENDBRANCH   7  16
BRANCH   5  23
ATOM     23  C   LIG    1       -2.153   0.778  -0.290  0.00  0.00    +0.083 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.141   1.120   0.805  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -3.346   0.222   2.001  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1       -4.420   0.327   0.956  0.00  0.00    +0.006 C 
ENDBRANCH  23  24
BRANCH  23  27
ATOM     27  C   LIG    1       -2.409   1.587  -1.549  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -1.336   2.239  -2.396  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -2.286   3.094  -1.608  0.00  0.00    +0.006 C 
ENDBRANCH  23  27
ENDBRANCH   5  23
BRANCH   2  30
ATOM     30  C   LIG    1        1.605   1.804   2.505  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1        0.794   0.750   3.222  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1        1.231  -0.360   3.490  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -0.455   1.131   3.558  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -0.748   1.991   3.174  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 8