REMARK  Name = BDB041027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.178  -0.923   0.579  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.603   0.447   0.580  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -2.240   0.851   0.542  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.927   0.128   0.537  0.00  0.00    +0.083 C 
ATOM      5  C   LIG    1        0.224   1.093   0.136  0.00  0.00    +0.171 C 
ATOM      6  C   LIG    1        0.055   2.505   0.760  0.00  0.00    +0.240 C 
ATOM      7  N   LIG    1       -1.207   3.051   0.772  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -1.299   4.013   1.075  0.00  0.00    +0.156 HD
ATOM      9  O   LIG    1        1.018   3.163   1.165  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1       -2.292   2.221   0.648  0.00  0.00    +0.127 A 
ATOM     11  N   LIG    1       -3.609   2.571   0.681  0.00  0.00    -0.253 N 
ATOM     12  C   LIG    1       -4.181   3.892   0.772  0.00  0.00    +0.174 C 
ATOM     13  N   LIG    1       -4.427   1.504   0.647  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -1.069  -1.070  -0.386  0.00  0.00    -0.037 A 
ATOM     15  C   LIG    1       -1.353  -0.933  -1.757  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -1.466  -2.056  -2.581  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1       -1.289  -3.328  -2.044  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1       -1.442  -4.847  -3.158  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -1.000  -3.488  -0.692  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -0.887  -2.365   0.131  0.00  0.00    +0.005 A 
ENDBRANCH   4  14
BRANCH   5  21
ATOM     21  N   LIG    1        1.549   0.601   0.546  0.00  0.00    -0.299 N 
ATOM     22  H   LIG    1        2.018   1.167   1.247  0.00  0.00    +0.150 HD
ATOM     23  C   LIG    1        2.345  -0.112  -0.324  0.00  0.00    +0.245 C 
ATOM     24  O   LIG    1        1.980  -0.462  -1.439  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.730  -0.412   0.138  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.709  -0.687  -0.829  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        6.020  -0.980  -0.443  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        6.352  -1.007   0.909  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        7.965  -1.369   1.387  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        5.385  -0.750   1.880  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        4.072  -0.457   1.497  0.00  0.00    +0.014 A 
ENDBRANCH  23  25
ENDBRANCH   5  21
TORSDOF 3