REMARK  Name = BDB036870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.098   0.638  -2.068  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.561   0.126  -0.872  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.104  -0.317   0.266  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -0.455  -0.807   1.242  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.034   0.099  -0.901  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -2.603  -1.309  -0.687  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.330  -2.251  -1.431  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.422  -1.489   0.400  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -3.763  -2.429   0.537  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -3.627  -0.637   1.455  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -4.282  -0.998   2.431  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -2.997   0.732   1.379  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.718   1.167  -0.048  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        1.567  -0.201   0.337  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1        2.375  -1.289  -0.011  0.00  0.00    +0.056 A 
ATOM     16 CL   LIG    1        1.723  -2.766  -0.621  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        3.765  -1.193   0.110  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        4.349  -0.015   0.586  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        3.539   1.070   0.939  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        2.150   0.976   0.819  0.00  0.00    +0.056 A 
ATOM     21 CL   LIG    1        1.208   2.355   1.265  0.00  0.00    -0.083 Cl
BRANCH  18  22
ATOM     22  C   LIG    1        5.774   0.083   0.708  0.00  0.00    +0.099 C 
ATOM     23  N   LIG    1        6.927   0.168   0.801  0.00  0.00    -0.191 NA
ENDBRANCH  18  22
ENDBRANCH   3  14
TORSDOF 3