REMARK  Name = BDB009220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.308  -0.686  -0.310  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.791  -0.510  -1.162  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.800  -1.482  -1.240  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.680  -2.643  -0.465  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.593  -2.817   0.394  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.397  -1.838   0.480  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.624  -0.038  -0.032  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1        2.807  -1.037  -0.030  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.333   0.394  -0.250  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        0.968   1.550  -0.423  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1        6.222   2.146   0.394  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1        5.003   2.830   0.257  0.00  0.00    +0.084 A 
ATOM     13 CL   LIG    1        4.943   4.561   0.262  0.00  0.00    -0.080 Cl
ATOM     14  C   LIG    1        3.799   2.135   0.114  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        3.796   0.742   0.104  0.00  0.00    +0.077 A 
ATOM     16  C   LIG    1        5.013   0.042   0.245  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1        6.216   0.746   0.389  0.00  0.00    +0.094 A 
BRANCH  11  19
ATOM     18  C   LIG    1        8.600   2.258   0.651  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        7.348   2.917   0.530  0.00  0.00    -0.494 OA
ENDBRANCH  11  19
BRANCH  16  20
ATOM     20  O   LIG    1        4.901  -1.331   0.231  0.00  0.00    -0.493 OA
ATOM     21  C   LIG    1        6.103  -2.086   0.328  0.00  0.00    +0.277 C 
ENDBRANCH  16  20
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  C   LIG    1       -2.980  -1.285  -2.162  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.326  -1.381  -1.448  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1       -4.796  -0.247  -0.590  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -3.986   1.013  -0.456  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -4.771   2.174   0.164  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.582   1.707   1.365  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.570   0.609   0.966  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -5.971  -0.415   0.041  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -6.749  -1.664  -0.153  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -7.832  -1.845   0.396  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -6.189  -2.596  -0.983  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -6.706  -3.456  -1.130  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -4.996  -2.482  -1.624  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6