REMARK  Name = BDB009648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.243  -0.421  -1.535  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1        2.432  -0.807  -0.273  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1        2.055   0.516   0.412  0.00  0.00    +0.228 C 
ATOM      4  O   LIG    1        2.744   0.985   1.316  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1        0.966   1.156  -0.175  0.00  0.00    -0.247 N 
ATOM      6  C   LIG    1       -0.298   0.416  -0.302  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1       -0.123  -1.124  -0.121  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1        1.198  -1.619  -0.727  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.360   0.901   0.698  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -2.701   1.023   0.293  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.682   1.442   1.194  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.334   1.736   2.510  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -4.545   2.251   3.619  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -2.014   1.612   2.934  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.031   1.192   2.034  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -1.299  -1.930  -0.669  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -1.633  -1.926  -2.033  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -2.726  -2.663  -2.494  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -3.124  -2.636  -4.168  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -3.499  -3.413  -1.612  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -3.176  -3.428  -0.256  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.084  -2.693   0.211  0.00  0.00    +0.004 A 
ENDBRANCH   7  16
BRANCH   5  23
ATOM     23  C   LIG    1        1.076   2.543  -0.511  0.00  0.00    +0.131 A 
ATOM     24  N   LIG    1        2.303   3.096  -0.453  0.00  0.00    -0.220 NA
ATOM     25  C   LIG    1        2.426   4.388  -0.784  0.00  0.00    +0.223 A 
ATOM     26  N   LIG    1        1.441   5.184  -1.209  0.00  0.00    -0.244 NA
ATOM     27  C   LIG    1        0.235   4.603  -1.288  0.00  0.00    +0.116 A 
ATOM     28  C   LIG    1       -0.002   3.285  -0.960  0.00  0.00    +0.064 A 
ENDBRANCH   5  23
BRANCH   2  29
ATOM     29  C   LIG    1        3.381  -1.629   0.633  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  C   LIG    1        2.849  -1.921   2.012  0.00  0.00    +0.306 C 
ATOM     31  O   LIG    1        1.691  -1.873   2.386  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        3.823  -2.328   2.849  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1        3.368  -2.454   3.708  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 6