REMARK  Name = BDB018884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.414  -1.380   0.339  0.00  0.00    -0.249 N 
ATOM      2  C   LIG    1       -0.216  -0.234  -0.179  0.00  0.00    +0.242 C 
ATOM      3  O   LIG    1        0.099   0.922   0.117  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.308  -0.487  -1.254  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -2.204   0.655  -1.401  0.00  0.00    -0.256 N 
ATOM      6  C   LIG    1       -3.200   0.985  -0.524  0.00  0.00    +0.404 C 
ATOM      7  O   LIG    1       -3.969   1.921  -0.691  0.00  0.00    -0.226 OA
ATOM      8  C   LIG    1       -1.948   1.404  -2.611  0.00  0.00    +0.112 C 
ATOM      9  C   LIG    1       -0.646   0.829  -3.150  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -0.657  -0.610  -2.636  0.00  0.00    +0.033 C 
BRANCH   6  11
ATOM     11  O   LIG    1       -3.225   0.132   0.534  0.00  0.00    -0.445 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -4.160   0.327   1.624  0.00  0.00    +0.107 C 
ATOM     13  C   LIG    1       -3.922   1.666   2.331  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1       -3.844  -0.809   2.609  0.00  0.00    +0.055 C 
ATOM     15  C   LIG    1       -5.610   0.175   1.151  0.00  0.00    +0.055 C 
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   2   4
BRANCH   1  16
ATOM     16  C   LIG    1        1.768  -1.217   0.661  0.00  0.00    +0.168 A 
ATOM     17  S   LIG    1        2.583  -2.435   1.558  0.00  0.00    -0.060 S 
ATOM     18  C   LIG    1        4.032  -1.524   1.488  0.00  0.00    +0.076 A 
ATOM     19  C   LIG    1        3.826  -0.368   0.763  0.00  0.00    +0.080 A 
ATOM     20  N   LIG    1        2.535  -0.221   0.285  0.00  0.00    -0.224 NA
BRANCH  19  21
ATOM     21  C   LIG    1        4.835   0.655   0.505  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        6.208   0.400   0.617  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        7.134   1.413   0.357  0.00  0.00    +0.042 A 
ATOM     24 CL   LIG    1        8.818   1.083   0.499  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        6.712   2.687  -0.017  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.350   2.952  -0.137  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.420   1.941   0.120  0.00  0.00    +0.010 A 
ENDBRANCH  19  21
ENDBRANCH   1  16
BRANCH   1  29
ATOM     28  C   LIG    1       -0.179  -3.665  -0.459  0.00  0.00    +0.025 C 
ATOM     29  C   LIG    1       -0.356  -2.598   0.611  0.00  0.00    +0.112 C 
ENDBRANCH   1  29
TORSDOF 6