REMARK  Name = BDB040509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.211  -1.878  -0.160  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.498  -1.256   1.058  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        1.587  -0.382   1.193  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        1.743   0.383   2.740  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        2.463  -0.128   0.117  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.168  -0.768  -1.104  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        3.110  -0.522  -2.537  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.069  -1.631  -1.235  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.670   0.802   0.238  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        4.578   0.477   1.422  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        4.812  -0.672   1.795  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        5.206   1.541   2.022  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        5.818   1.311   2.794  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        5.282   2.834   1.571  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        6.034   3.646   2.103  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.474   3.168   0.341  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        3.249   2.275   0.228  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.965  -2.819  -0.269  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.786  -1.900  -1.818  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -1.696  -2.656  -1.511  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.236  -2.991  -2.349  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -3.008  -1.744  -3.024  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -4.380  -2.449   0.043  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -3.717  -1.297  -0.744  0.00  0.00    +0.083 C 
ATOM     25  C   LIG    1       -4.870  -0.536  -1.449  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -2.995  -0.283   0.144  0.00  0.00    +0.057 A 
ATOM     27  N   LIG    1       -3.188  -0.369   1.485  0.00  0.00    -0.259 NA
ATOM     28  C   LIG    1       -2.613   0.557   2.283  0.00  0.00    +0.112 A 
ATOM     29  C   LIG    1       -1.822   1.584   1.811  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -1.614   1.664   0.438  0.00  0.00    +0.055 A 
ATOM     31  C   LIG    1       -2.212   0.731  -0.410  0.00  0.00    +0.043 A 
BRANCH  30  32
ATOM     32  C   LIG    1       -0.770   2.689  -0.098  0.00  0.00    +0.099 C 
ATOM     33  N   LIG    1       -0.065   3.507  -0.520  0.00  0.00    -0.191 NA
ENDBRANCH  30  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6