REMARK  Name = BDB006934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.440   0.865   0.942  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.771   0.610   0.310  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -1.103   0.135  -0.974  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -2.497  -0.002  -1.077  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1       -3.099  -0.450  -2.251  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.290  -0.760  -3.342  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -0.904  -0.617  -3.242  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1        0.082  -1.002  -4.602  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -3.187   0.347   0.230  0.00  0.00    +0.022 C 
ATOM     10  C   LIG    1       -3.763  -0.918   0.921  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1       -5.213  -0.848   0.545  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -5.553   0.423   0.072  0.00  0.00    -0.043 A 
ATOM     13  C   LIG    1       -6.853   0.723  -0.300  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -7.818  -0.281  -0.203  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.477  -1.558   0.271  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.166  -1.847   0.655  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -4.367   1.339   0.077  0.00  0.00    +0.049 C 
ATOM     18  C   LIG    1       -0.300  -0.169  -2.062  0.00  0.00    +0.043 A 
ATOM     19  C   LIG    1       -2.014   0.959   1.014  0.00  0.00    +0.126 C 
ATOM     20  O   LIG    1        0.442   1.409   2.053  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  21
ATOM     21  C   LIG    1        1.740   0.436   0.240  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1        4.082  -0.276   0.641  0.00  0.00    +0.097 C 
ATOM     23  N   LIG    1        2.926   0.520   1.133  0.00  0.00    -0.286 NA
ATOM     24  C   LIG    1        3.381   1.931   1.262  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1        4.318   2.468   0.127  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1        5.726   2.768   0.654  0.00  0.00    +0.025 C 
ATOM     27  N   LIG    1        4.384   1.607  -1.066  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1        5.097   1.939  -1.714  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        4.629   0.191  -0.739  0.00  0.00    +0.102 C 
BRANCH  22  30
ATOM     30  C   LIG    1        3.862  -1.804   0.668  0.00  0.00    +0.179 C 
BRANCH  30  32
ATOM     31  C   LIG    1        4.956  -3.884   0.464  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1        5.099  -2.471   0.394  0.00  0.00    -0.381 OA
ENDBRANCH  30  32
ENDBRANCH  22  30
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 4