REMARK  Name = BDB033047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.466  -1.852  -0.246  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.475  -0.934  -1.032  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.669  -1.730  -1.181  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.758  -2.712  -0.210  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        2.708  -3.448  -0.004  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.492  -2.682   0.609  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -2.349  -0.033  -1.238  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.386  -0.324  -0.045  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -1.466  -1.162   0.555  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -1.750  -1.609   1.419  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.491   0.202   0.803  0.00  0.00    +0.078 A 
ATOM     12  C   LIG    1       -4.672   0.657   0.196  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -5.730   1.135   0.967  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -5.611   1.184   2.356  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -4.433   0.761   2.970  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.373   0.275   2.199  0.00  0.00    +0.017 A 
BRANCH  12  17
ATOM     17  O   LIG    1       -4.864   0.664  -1.161  0.00  0.00    -0.506 OA
ATOM     18  H   LIG    1       -4.005   0.450  -1.588  0.00  0.00    +0.292 HD
ENDBRANCH  12  17
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1        2.787  -1.313  -2.004  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.529  -0.141  -1.407  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        4.416  -0.336  -0.336  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        5.088   0.746   0.241  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        6.158   0.420   1.558  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        4.877   2.038  -0.250  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        5.668   3.425   0.411  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        3.993   2.241  -1.314  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        3.321   1.158  -1.888  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5