REMARK  Name = BDB040556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.850  -0.350  -1.465  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.655  -1.384  -0.983  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.948  -1.129  -0.504  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.848  -2.512   0.023  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.478   0.179  -0.477  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.656   1.210  -0.980  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        3.169   2.863  -1.077  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.362   0.949  -1.456  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.883   0.438   0.064  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        4.937   1.524   1.136  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        4.056   1.682   1.979  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.080   2.286   1.178  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        6.110   2.991   1.902  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        7.258   2.070   0.510  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        8.265   2.721   0.773  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        7.269   0.939  -0.489  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.883   0.701  -1.068  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.552  -0.629  -1.938  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -1.844  -1.846  -0.215  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -1.463  -0.666  -0.820  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.756   0.216  -0.414  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.493  -2.944  -0.644  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.729  -1.685   1.039  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -1.903  -0.958   2.125  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1       -3.089  -3.073   1.611  0.00  0.00    +0.027 C 
BRANCH  23  29
ATOM     26  C   LIG    1       -6.126   0.629  -0.053  0.00  0.00    +0.234 A 
ATOM     27  N   LIG    1       -5.108   1.179   0.638  0.00  0.00    -0.111 NA
ATOM     28  N   LIG    1       -4.033   0.406   0.990  0.00  0.00    -0.150 NA
ATOM     29  C   LIG    1       -3.987  -0.907   0.660  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -5.023  -1.478  -0.075  0.00  0.00    +0.031 A 
ATOM     31  C   LIG    1       -6.117  -0.696  -0.432  0.00  0.00    +0.070 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -7.154   2.726   0.042  0.00  0.00    +0.279 C 
ATOM     33  O   LIG    1       -7.221   1.381  -0.423  0.00  0.00    -0.479 OA
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6