REMARK  Name = BDB002882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.002  -0.647  -0.989  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1       -1.265   0.077  -0.124  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.199   0.050  -0.014  0.00  0.00    -0.023 A 
ATOM      4  C   LIG    1        0.891  -1.124   0.299  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        2.283  -1.106   0.419  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        3.002   0.077   0.236  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        2.313   1.252  -0.063  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        0.918   1.238  -0.183  0.00  0.00    +0.011 A 
BRANCH   6   9
ATOM      9  O   LIG    1        4.354  -0.051   0.383  0.00  0.00    -0.487 OA
BRANCH   9  10
ATOM     10  C   LIG    1        5.151   1.099   0.114  0.00  0.00    +0.264 C 
BRANCH  10  11
ATOM     11  C   LIG    1        6.602   0.707   0.257  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1        7.225  -0.065  -0.736  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        8.563  -0.440  -0.607  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        9.285  -0.052   0.519  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       10.935  -0.514   0.680  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        8.678   0.706   1.519  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        7.339   1.082   1.390  0.00  0.00    +0.008 A 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   2   3
BRANCH   1  18
ATOM     18  C   LIG    1       -3.482  -0.463  -0.987  0.00  0.00    +0.259 C 
ATOM     19  N   LIG    1       -4.057  -0.604   0.265  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1       -3.458  -0.916   1.021  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1       -4.076  -0.256  -2.038  0.00  0.00    -0.269 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -5.423  -0.455   0.589  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -6.380   0.042  -0.299  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -7.723   0.140   0.093  0.00  0.00    +0.061 A 
ATOM     25  C   LIG    1       -8.104  -0.218   1.389  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -7.151  -0.696   2.284  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -5.818  -0.815   1.885  0.00  0.00    +0.023 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -8.764   0.661  -0.825  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -9.709   1.326  -0.436  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -8.595   0.292  -2.111  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -7.873  -0.345  -2.276  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  19  22
ENDBRANCH   1  18
BRANCH   1  33
ATOM     32  N   LIG    1       -0.994  -2.251  -2.744  0.00  0.00    -0.191 NA
ATOM     33  C   LIG    1       -1.455  -1.515  -1.974  0.00  0.00    +0.104 C 
ENDBRANCH   1  33
TORSDOF 9