REMARK  Name = BDB063267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.031  -1.201  -2.158  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1        1.977  -0.400  -1.385  0.00  0.00    +0.086 C 
ATOM      3  N   LIG    1        2.277  -0.381   0.067  0.00  0.00    -0.304 N 
ATOM      4  C   LIG    1        1.987  -1.642   0.778  0.00  0.00    +0.122 C 
ATOM      5  C   LIG    1        0.575  -2.174   0.444  0.00  0.00    +0.103 C 
ATOM      6  N   LIG    1        0.344  -2.293  -1.008  0.00  0.00    -0.296 NA
ATOM      7  C   LIG    1        0.549  -0.969  -1.629  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        3.293   0.387   0.570  0.00  0.00    +0.162 A 
ATOM      9  S   LIG    1        3.818   1.874  -0.151  0.00  0.00    -0.052 S 
ATOM     10  C   LIG    1        4.990   2.094   1.081  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.904   1.030   1.975  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        5.777   0.999   3.082  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        6.708   2.028   3.262  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        6.771   3.079   2.353  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1        7.924   4.336   2.591  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        5.919   3.136   1.248  0.00  0.00    +0.037 A 
ATOM     17  N   LIG    1        3.941   0.087   1.677  0.00  0.00    -0.225 NA
ENDBRANCH   3   8
BRANCH   6  18
ATOM     18  C   LIG    1       -0.959  -2.894  -1.344  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.249  -2.118  -1.006  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.457  -1.088  -1.977  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.376  -0.122  -1.659  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -3.234   1.129  -2.277  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1       -1.941   1.450  -3.381  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1       -4.133   2.161  -2.003  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -5.191   1.952  -1.117  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -5.364   0.704  -0.505  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -4.454  -0.330  -0.790  0.00  0.00    +0.051 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -6.522   0.467   0.439  0.00  0.00    +0.155 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.117   0.252   1.877  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1       -5.013  -0.026   2.316  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.170   0.354   2.717  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -6.784   0.186   3.603  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 8