REMARK  Name = BDB033993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.448   0.969  -0.142  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.405   3.037   0.953  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.352   2.210  -0.152  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        0.621   2.599  -1.046  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -0.157   2.783   2.010  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        1.304   5.177   1.937  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        1.221   4.291   0.707  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -1.946   1.299  -0.281  0.00  0.00    +0.086 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.819   0.085  -0.221  0.00  0.00    +0.081 A 
ATOM     10  S   LIG    1       -3.303  -0.573   1.287  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1       -4.163  -1.818   0.468  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1       -4.026  -1.633  -0.910  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1       -4.656  -2.542  -1.783  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -5.401  -3.606  -1.261  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -5.519  -3.766   0.116  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1       -6.442  -5.081   0.737  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -4.907  -2.881   1.006  0.00  0.00    +0.037 A 
ATOM     18  N   LIG    1       -3.263  -0.541  -1.289  0.00  0.00    -0.244 NA
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        0.045   0.023  -1.263  0.00  0.00    +0.127 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.454  -0.317  -1.118  0.00  0.00    -0.308 N 
ATOM     21  H   LIG    1        2.136   0.386  -1.367  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        1.841  -1.294  -0.207  0.00  0.00    +0.262 C 
ATOM     23  O   LIG    1        1.035  -1.979   0.411  0.00  0.00    -0.269 OA
BRANCH  22  24
ATOM     24  C   LIG    1        3.318  -1.448  -0.010  0.00  0.00    +0.125 A 
ATOM     25  N   LIG    1        3.737  -1.643   1.265  0.00  0.00    -0.250 NA
ATOM     26  C   LIG    1        5.065  -1.782   1.456  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        6.000  -1.730   0.434  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.548  -1.529  -0.866  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.183  -1.385  -1.099  0.00  0.00    +0.033 A 
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7