REMARK  Name = BDB012155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.057   0.176   0.206  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.361  -0.839   0.281  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.027  -0.795   0.232  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1        0.887  -1.976   0.309  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        2.313  -1.626   0.712  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        2.945  -0.606  -0.249  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        1.914   0.374  -0.836  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1        0.683   0.502   0.054  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.044   0.125   0.441  0.00  0.00    +0.221 A 
ATOM     10  O   LIG    1        5.328  -0.194   0.092  0.00  0.00    -0.420 OA
ATOM     11  C   LIG    1        6.053   0.643   0.904  0.00  0.00    +0.248 A 
ATOM     12  N   LIG    1        5.282   1.390   1.670  0.00  0.00    -0.107 NA
ATOM     13  N   LIG    1        3.979   1.053   1.370  0.00  0.00    -0.112 NA
BRANCH  11  14
ATOM     14  C   LIG    1        7.505   0.585   0.807  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        8.154  -0.289  -0.078  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        9.548  -0.317  -0.143  0.00  0.00    +0.042 A 
ATOM     17 CL   LIG    1       10.327  -1.396  -1.234  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       10.315   0.518   0.666  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        9.683   1.391   1.549  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        8.288   1.423   1.618  0.00  0.00    +0.013 A 
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   2  21
ATOM     21  C   LIG    1       -2.002  -2.216   0.409  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.533  -2.164   0.381  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.091  -1.752  -0.986  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.136  -0.667  -0.859  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1       -4.682   0.564  -0.467  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -3.696   0.699  -0.239  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -5.502   1.649  -0.294  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -5.091   2.743   0.076  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.928   1.415  -0.583  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -7.302   0.128  -0.982  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -8.648  -0.119  -1.258  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -9.599   0.900  -1.138  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -9.209   2.179  -0.738  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -7.869   2.442  -0.458  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -6.378  -0.923  -1.114  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 6