REMARK  Name = BDB062316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.078   2.835   0.685  0.00  0.00    +0.031 C 
ATOM      2  C   LIG    1       -3.607   2.356  -0.687  0.00  0.00    +0.105 C 
ATOM      3  N   LIG    1       -2.283   1.730  -0.572  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1       -1.626   2.277  -0.021  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -2.219   0.358  -0.294  0.00  0.00    +0.084 A 
ATOM      6  C   LIG    1       -0.906  -0.249   0.013  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -0.841  -1.582   0.449  0.00  0.00    +0.054 A 
ATOM      8  N   LIG    1       -2.036  -2.354   0.535  0.00  0.00    -0.308 N 
ATOM      9  C   LIG    1       -3.273  -1.845   0.152  0.00  0.00    +0.295 A 
ATOM     10  O   LIG    1       -4.306  -2.518   0.159  0.00  0.00    -0.264 OA
ATOM     11  C   LIG    1       -1.978  -3.740   0.978  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1        0.410  -2.132   0.767  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.585  -1.386   0.628  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.548  -0.073   0.167  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        0.295   0.476  -0.145  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -3.332  -0.407  -0.269  0.00  0.00    +0.207 A 
ATOM     17  O   LIG    1       -4.602   0.096  -0.566  0.00  0.00    -0.483 OA
ATOM     18  C   LIG    1       -4.569   1.328  -1.304  0.00  0.00    +0.251 C 
ENDROOT
BRANCH  14  19
ATOM     19  N   LIG    1        2.703   0.700  -0.053  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        2.531   1.701   0.025  0.00  0.00    +0.152 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.045   0.334  -0.310  0.00  0.00    +0.053 A 
ATOM     22  C   LIG    1        5.116   1.144   0.112  0.00  0.00    +0.110 A 
ATOM     23  C   LIG    1        6.409   0.701  -0.134  0.00  0.00    +0.148 A 
ATOM     24 CL   LIG    1        7.813   1.588   0.326  0.00  0.00    -0.061 Cl
ATOM     25  N   LIG    1        6.713  -0.462  -0.753  0.00  0.00    -0.242 NA
ATOM     26  C   LIG    1        5.677  -1.223  -1.150  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1        4.352  -0.875  -0.949  0.00  0.00    +0.044 A 
BRANCH  22  28
ATOM     28  C   LIG    1        4.882   2.386   0.776  0.00  0.00    +0.104 C 
ATOM     29  N   LIG    1        4.632   3.394   1.294  0.00  0.00    -0.191 NA
ENDBRANCH  22  28
ENDBRANCH  19  21
ENDBRANCH  14  19
TORSDOF 3