REMARK  Name = BDB003685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.357   0.014   0.058  0.00  0.00    -0.149 N 
ATOM      2  N   LIG    1       -1.246  -0.991  -0.114  0.00  0.00    -0.147 NA
ATOM      3  C   LIG    1       -2.429  -0.366  -0.042  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -2.186   1.056   0.177  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -3.232   1.986   0.283  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -4.521   1.426   0.168  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -4.773   0.032   0.005  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -3.726  -0.899  -0.155  0.00  0.00    +0.054 A 
ATOM      9  N   LIG    1       -0.863   1.257   0.240  0.00  0.00    -0.147 NA
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        3.825  -0.685   0.037  0.00  0.00    +0.138 A 
ATOM     11  C   LIG    1        2.918  -1.744  -0.144  0.00  0.00    +0.085 A 
ATOM     12 CL   LIG    1        3.469  -3.368  -0.381  0.00  0.00    -0.080 Cl
ATOM     13  C   LIG    1        1.538  -1.520  -0.138  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1        1.044  -0.223   0.050  0.00  0.00    +0.088 A 
ATOM     15  C   LIG    1        1.940   0.839   0.232  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.321   0.607   0.225  0.00  0.00    +0.049 A 
BRANCH  10  18
ATOM     17  C   LIG    1        6.093   0.053   0.192  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        5.158  -1.003   0.017  0.00  0.00    -0.494 OA
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  N   LIG    1       -6.097  -0.392  -0.212  0.00  0.00    -0.358 N 
ATOM     20  H   LIG    1       -6.801   0.201   0.217  0.00  0.00    +0.142 HD
ATOM     21  H   LIG    1       -6.254  -1.377  -0.021  0.00  0.00    +0.142 HD
ENDBRANCH   7  19
TORSDOF 3