REMARK  Name = BDB019673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.520   0.272   0.384  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.252   0.187  -0.215  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.168  -0.988  -0.853  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.695  -2.088  -0.914  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.961  -2.036  -0.316  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -2.363  -0.852   0.323  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -0.815   3.891   3.774  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -1.627   3.261   2.682  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -2.782   3.873   2.337  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1       -3.515   3.304   1.358  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -3.151   2.142   0.699  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.956   1.508   1.054  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1       -1.186   2.091   2.069  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1        1.504  -1.103  -1.504  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        2.489  -0.270  -1.037  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        2.380   0.266  -0.184  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        1.694  -1.929  -2.390  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.845  -0.358  -1.533  0.00  0.00    +0.160 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.749   0.654  -0.860  0.00  0.00    +0.058 A 
ATOM     20  N   LIG    1        4.265   1.316   0.231  0.00  0.00    -0.257 NA
ATOM     21  C   LIG    1        5.094   2.207   0.831  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1        6.386   2.468   0.402  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1        7.372   3.611   1.219  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        6.866   1.782  -0.705  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        6.040   0.859  -1.347  0.00  0.00    +0.026 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  26
ATOM     26  C   LIG    1       -2.893  -3.222  -0.396  0.00  0.00    +0.151 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.519  -3.257  -1.704  0.00  0.00    -0.352 N 
ATOM     28  H   LIG    1       -3.630  -2.335  -2.108  0.00  0.00    +0.163 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -4.491  -4.132  -2.034  0.00  0.00    +0.188 C 
ATOM     30  N   LIG    1       -5.405  -3.901  -2.904  0.00  0.00    -0.269 NA
ATOM     31  H   LIG    1       -5.275  -2.969  -3.299  0.00  0.00    +0.190 HD
BRANCH  29  32
ATOM     32  N   LIG    1       -4.468  -5.323  -1.409  0.00  0.00    -0.370 N 
ATOM     33  H   LIG    1       -5.163  -5.929  -1.836  0.00  0.00    +0.159 HD
ATOM     34  H   LIG    1       -3.557  -5.762  -1.455  0.00  0.00    +0.159 HD
ENDBRANCH  29  32
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 8