REMARK  Name = BDB021954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.449  -0.714   1.164  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.489   0.582   1.693  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        0.554   1.403   1.337  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.144   1.089   0.589  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.409   0.936   2.428  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        0.595  -1.311   0.293  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1        1.968  -1.402   0.996  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1        3.036  -1.938   0.047  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        3.031  -1.137  -1.171  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1        3.787   0.025  -1.308  0.00  0.00    +0.212 C 
ATOM     11  O   LIG    1        3.454   0.950  -2.047  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1        5.048   0.121  -0.487  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        1.796  -1.247  -1.939  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        0.624  -0.703  -1.127  0.00  0.00    +0.041 C 
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1        0.821   2.717   1.777  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        0.138   3.351   2.817  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        0.477   4.655   3.197  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.502   5.328   2.539  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        1.917   6.930   3.008  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        2.195   4.708   1.503  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        1.855   3.405   1.126  0.00  0.00    +0.025 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1       -1.592  -1.581   1.478  0.00  0.00    +0.144 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -4.223  -2.060  -1.927  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1       -3.475  -3.140  -1.453  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -2.629  -2.996  -0.351  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -2.517  -1.759   0.296  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -3.275  -0.680  -0.179  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -4.121  -0.828  -1.283  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -5.802  -1.275  -3.520  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.006  -2.340  -3.013  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5