REMARK  Name = BDB016965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.510   2.893   0.807  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.175   2.358   0.688  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.833   1.067   0.346  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1        0.558   1.073   0.347  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        1.039   2.324   0.698  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.026   3.066   0.891  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.802   0.018   0.038  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -2.277  -0.213  -1.266  0.00  0.00    +0.052 A 
ATOM      9 CL   LIG    1       -1.770   0.757  -2.606  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -3.195  -1.236  -1.515  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -3.639  -2.034  -0.465  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1       -4.769  -3.296  -0.770  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1       -3.179  -1.821   0.833  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1       -2.262  -0.798   1.083  0.00  0.00    +0.013 A 
ENDBRANCH   3   7
BRANCH   4  15
ATOM     15  C   LIG    1        1.449  -0.040   0.029  0.00  0.00    +0.092 A 
ATOM     16  N   LIG    1        0.915  -1.284  -0.051  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1        1.741  -2.308  -0.353  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        3.098  -2.160  -0.556  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        3.635  -0.881  -0.439  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        2.803   0.203  -0.163  0.00  0.00    +0.045 A 
BRANCH  19  21
ATOM     21  C   LIG    1        5.088  -0.711  -0.654  0.00  0.00    +0.337 C 
ATOM     22  O   LIG    1        5.719  -1.392  -1.444  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        5.651   0.223   0.140  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1        5.072   0.595   0.831  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   4  15
TORSDOF 4