REMARK  Name = BDB018168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.207  -3.044  -0.483  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        0.767  -2.035   0.524  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -0.363  -1.268   1.213  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1       -0.509   0.013   0.379  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        0.555   0.040  -0.593  0.00  0.00    -0.345 OA
ATOM      6  C   LIG    1        1.553  -0.927  -0.200  0.00  0.00    +0.188 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.801   0.111  -0.285  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -2.977   0.284   0.407  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1       -4.013   0.339  -0.514  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -5.304   0.511   0.003  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1       -5.461   0.614   1.337  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1       -4.367   0.535   2.119  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1       -3.426   0.190  -1.802  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -3.083   0.368   1.746  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -2.063   0.055  -1.631  0.00  0.00    +0.091 A 
BRANCH  10  16
ATOM     16  N   LIG    1       -6.442   0.595  -0.783  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -6.295   0.961  -1.714  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -7.215   0.991  -0.260  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   4   7
BRANCH   3  19
ATOM     19  O   LIG    1        0.040  -0.967   2.565  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1       -0.730  -0.532   2.987  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   2  21
ATOM     21  O   LIG    1        1.554  -2.760   1.475  0.00  0.00    -0.383 OA
ATOM     22  H   LIG    1        1.232  -2.469   2.359  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   6  23
ATOM     23  C   LIG    1        2.668  -0.274   0.662  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.360   0.859  -0.078  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1        4.344   0.599  -1.047  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        4.963   1.644  -1.741  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1        6.161   1.232  -2.916  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        4.599   2.967  -1.473  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1        5.315   4.311  -2.291  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        3.621   3.237  -0.513  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        3.005   2.191   0.178  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1        3.670  -1.227   1.023  0.00  0.00    -0.384 OA
ATOM     33  H   LIG    1        3.196  -2.026   1.337  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   6  23
TORSDOF 7