REMARK  Name = BDB019712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.402   2.288   0.432  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.505   1.300   0.021  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        1.744   1.659  -0.535  0.00  0.00    -0.030 A 
ATOM      4  C   LIG    1        2.075   3.017  -0.645  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        1.181   4.002  -0.222  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.053   3.638   0.316  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.277   0.743   0.649  0.00  0.00    -0.305 N 
ATOM      8  H   LIG    1       -1.885   0.252  -0.142  0.00  0.00    +0.150 HD
ATOM      9  C   LIG    1       -1.727   1.950   1.025  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1       -2.285   2.740   1.777  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -3.597  -0.086   2.567  0.00  0.00    +0.033 C 
ATOM     12  C   LIG    1       -3.602   0.339   1.095  0.00  0.00    +0.100 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.126  -0.758   0.184  0.00  0.00    -0.026 A 
ATOM     14  C   LIG    1       -5.151  -0.472  -0.732  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -5.628  -1.462  -1.591  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -6.888  -1.093  -2.705  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -5.091  -2.747  -1.558  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -4.066  -3.043  -0.661  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.584  -2.055   0.201  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1        2.731   0.597  -0.959  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.680   0.362   0.109  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        3.244   0.379   1.027  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.578  -0.642   0.053  0.00  0.00    +0.176 C 
ATOM     24  N   LIG    1        5.214  -0.857  -1.127  0.00  0.00    -0.316 N 
ATOM     25  H   LIG    1        5.485   0.001  -1.592  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1        6.309  -1.766  -0.850  0.00  0.00    +0.127 C 
ATOM     27  C   LIG    1        5.903  -2.331   0.514  0.00  0.00    +0.163 C 
ATOM     28  N   LIG    1        4.890  -1.391   1.069  0.00  0.00    -0.255 NA
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6