REMARK  Name = BDB040563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.067  -0.519  -1.803  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.398   0.836  -1.748  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.657   1.250  -1.291  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        2.916   2.962  -1.239  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.634   0.321  -0.873  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.268  -1.043  -0.902  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        4.313  -2.311  -0.353  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        2.007  -1.452  -1.361  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.007   0.793  -0.398  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        6.171   0.100  -1.102  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        6.150  -0.207  -2.293  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        7.307  -0.097  -0.355  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        8.076  -0.544  -0.837  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        7.604   0.429   0.876  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        8.730   0.330   1.354  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.506   1.209   1.557  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.133   0.718   1.127  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.293  -0.962  -2.267  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.475  -1.557  -1.331  0.00  0.00    +0.219 C 
ATOM     20  N   LIG    1       -1.198  -1.080  -1.149  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1       -0.955  -0.610  -0.289  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.860  -1.938  -2.435  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.654  -1.947   1.181  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1       -3.408  -1.517  -0.091  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -4.504  -2.586  -0.353  0.00  0.00    +0.021 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.072  -0.096   0.040  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -5.093   0.024   1.204  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -4.595   0.886   2.360  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -4.272   2.310   1.915  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -3.736   2.385   0.487  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -3.066   1.081   0.065  0.00  0.00    +0.004 C 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5