REMARK  Name = BDB062108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.108   0.267  -0.479  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1       -0.524  -0.937  -0.233  0.00  0.00    -0.324 N 
ATOM      3  C   LIG    1       -1.881  -0.701  -0.152  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -1.975   0.689  -0.189  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -3.227   1.313  -0.078  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -4.375   0.518   0.046  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -4.263  -0.877   0.046  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -3.018  -1.514  -0.057  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -0.746   1.265  -0.369  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.680   1.136   0.154  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -6.053   2.028   1.136  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1       -5.380   2.635   2.301  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -7.349   2.392   0.941  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -7.854   1.740  -0.168  0.00  0.00    -0.083 NA
ATOM     15  C   LIG    1       -6.849   0.992  -0.640  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1       -7.049   0.163  -1.851  0.00  0.00    +0.070 C 
ENDBRANCH   6  10
BRANCH   2  17
ATOM     17  C   LIG    1        0.139  -2.263  -0.220  0.00  0.00    +0.094 C 
ATOM     18  C   LIG    1       -0.519  -3.342   0.683  0.00  0.00    +0.056 C 
ATOM     19  C   LIG    1        0.902  -3.786   1.084  0.00  0.00    +0.118 C 
ATOM     20  C   LIG    1        1.349  -2.348   0.754  0.00  0.00    +0.056 C 
BRANCH  19  21
ATOM     21  O   LIG    1        1.493  -4.820   0.276  0.00  0.00    -0.392 OA
ATOM     22  H   LIG    1        1.055  -5.643   0.553  0.00  0.00    +0.210 HD
ENDBRANCH  19  21
ENDBRANCH   2  17
BRANCH   1  23
ATOM     23  C   LIG    1        1.543   0.437  -0.861  0.00  0.00    +0.079 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.347   1.083   0.270  0.00  0.00    +0.043 C 
BRANCH  24  29
ATOM     25  C   LIG    1        6.528   1.467  -0.816  0.00  0.00    +0.138 A 
ATOM     26  C   LIG    1        5.601   2.464  -1.161  0.00  0.00    +0.083 A 
ATOM     27 CL   LIG    1        6.080   3.876  -2.038  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        4.253   2.343  -0.805  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1        3.805   1.224  -0.094  0.00  0.00    -0.045 A 
ATOM     30  C   LIG    1        4.726   0.227   0.246  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        6.075   0.348  -0.110  0.00  0.00    +0.047 A 
BRANCH  25  33
ATOM     32  C   LIG    1        8.781   0.674  -0.858  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        7.826   1.667  -1.205  0.00  0.00    -0.494 OA
ENDBRANCH  25  33
ENDBRANCH  24  29
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7