REMARK  Name = BDB059534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.164  -0.210  -0.438  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        1.189   0.566  -0.825  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1        2.426   0.100  -0.612  0.00  0.00    +0.321 A 
ATOM      4  N   LIG    1        2.731  -1.058  -0.026  0.00  0.00    -0.183 NA
ATOM      5  C   LIG    1        1.673  -1.802   0.320  0.00  0.00    +0.138 A 
ATOM      6 CL   LIG    1        2.077  -3.301   1.051  0.00  0.00    -0.062 Cl
ATOM      7  C   LIG    1        0.364  -1.443   0.138  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -1.121   0.277  -0.709  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1       -1.022   1.198  -1.132  0.00  0.00    +0.154 HD
BRANCH   8  14
ATOM     10  C   LIG    1       -6.102   0.532  -0.359  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.734   0.359   0.247  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1       -3.561   0.347  -0.545  0.00  0.00    -0.026 A 
ATOM     13  C   LIG    1       -3.651   0.533  -2.042  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -2.296   0.202   0.076  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1       -2.233   0.058   1.471  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -3.392   0.036   2.243  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.633   0.185   1.635  0.00  0.00    +0.004 A 
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  O   LIG    1        3.435   0.960  -0.982  0.00  0.00    -0.462 OA
BRANCH  18  19
ATOM     19  C   LIG    1        4.701   0.324  -1.178  0.00  0.00    +0.243 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.525   0.368   0.102  0.00  0.00    +0.161 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.895  -0.210  -0.122  0.00  0.00    +0.308 C 
ATOM     22  O   LIG    1        7.355  -0.531  -1.206  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1        7.602  -0.326   1.026  0.00  0.00    -0.481 OA
ATOM     24  H   LIG    1        7.115  -0.038   1.822  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7