REMARK  Name = BDB021933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.186   0.710   1.194  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        2.577  -0.265   0.569  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        1.726  -1.253   0.105  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        2.025  -1.693  -0.752  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        3.882  -0.565   0.239  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        4.040  -1.521  -0.042  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        5.025   0.230   0.452  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        6.272  -0.355   0.190  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        7.452   0.374   0.368  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        7.390   1.694   0.805  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        8.840   2.592   1.023  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        6.158   2.288   1.062  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        4.978   1.558   0.884  0.00  0.00    +0.025 A 
ENDBRANCH   5   7
BRANCH   3  14
ATOM     14  C   LIG    1        0.281  -1.132   0.291  0.00  0.00    +0.077 C 
ATOM     15  C   LIG    1       -0.329  -0.104  -0.677  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -1.755  -0.462  -1.110  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1       -2.476  -1.085  -0.000  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -1.904  -2.391   0.358  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -0.393  -2.491   0.124  0.00  0.00    +0.038 C 
BRANCH  17  20
ATOM     20  C   LIG    1       -3.922  -1.200  -0.247  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.643   0.132  -0.272  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1       -5.491   0.463  -1.339  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -6.171   1.682  -1.351  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.016   2.580  -0.297  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.182   2.260   0.772  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.502   1.042   0.787  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   3  14
TORSDOF 4