REMARK  Name = BDB040384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.317  -0.167  -3.246  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.737  -0.130  -2.168  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1        1.351   1.076  -1.808  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.268   1.126  -0.750  0.00  0.00    +0.045 A 
ATOM      5 CL   LIG    1        2.980   2.664  -0.409  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        2.586  -0.030  -0.016  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        1.970  -1.239  -0.395  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        1.056  -1.286  -1.450  0.00  0.00    +0.005 A 
BRANCH   6   9
ATOM      9  C   LIG    1        3.573  -0.021   1.144  0.00  0.00    +0.107 C 
ATOM     10  C   LIG    1        3.005  -0.641   2.421  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        1.820  -0.579   2.744  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        3.914  -1.237   3.265  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        3.537  -1.620   4.121  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        5.279  -1.295   3.137  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        5.978  -1.776   4.023  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        5.865  -0.673   1.894  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        4.875  -0.722   0.741  0.00  0.00    +0.027 C 
ENDBRANCH   6   9
ENDBRANCH   1   2
BRANCH   1  19
ATOM     18  C   LIG    1       -2.404  -0.897  -2.166  0.00  0.00    +0.223 C 
ATOM     19  N   LIG    1       -1.614   0.119  -2.677  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.732   1.039  -2.272  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -2.170  -2.084  -2.379  0.00  0.00    -0.275 OA
BRANCH  18  23
ATOM     22  C   LIG    1       -4.372  -1.629  -0.757  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -3.602  -0.409  -1.305  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -4.550   0.355  -2.254  0.00  0.00    +0.025 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.101   0.422  -0.106  0.00  0.00    -0.032 A 
ATOM     26  C   LIG    1       -3.668   1.656   0.257  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.170   2.389   1.346  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1       -2.097   1.895   2.090  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1       -1.531   0.669   1.756  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -2.033  -0.061   0.676  0.00  0.00    +0.005 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -3.762   3.649   1.691  0.00  0.00    +0.099 C 
ATOM     32  N   LIG    1       -4.243   4.671   1.958  0.00  0.00    -0.191 NA
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH   1  19
TORSDOF 6