REMARK  Name = BDB050155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.991  -0.288   0.929  0.00  0.00    +0.148 A 
ATOM      2  N   LIG    1       -0.237  -0.100   0.567  0.00  0.00    -0.149 NA
ATOM      3  N   LIG    1       -1.135  -0.209   1.597  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1       -0.840  -0.479   2.924  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1       -1.919  -0.493   3.674  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -2.949  -0.223   2.810  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1        0.516  -0.683   3.257  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -2.507  -0.048   1.509  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1        1.453  -0.599   2.304  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.258   0.263   0.291  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -2.956  -0.350  -0.931  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -3.693  -0.043  -2.076  0.00  0.00    +0.042 A 
ATOM     13 CL   LIG    1       -3.302  -0.803  -3.571  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -4.743   0.869  -2.021  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -5.060   1.480  -0.809  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.323   1.177   0.339  0.00  0.00    +0.010 A 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     17  C   LIG    1        3.277  -0.307  -0.108  0.00  0.00    +0.406 C 
ATOM     18  N   LIG    1        1.909  -0.182  -0.082  0.00  0.00    -0.234 N 
ATOM     19  H   LIG    1        1.503   0.036  -0.981  0.00  0.00    +0.160 HD
ATOM     20  O   LIG    1        4.012  -0.564   0.832  0.00  0.00    -0.226 OA
BRANCH  17  21
ATOM     21  O   LIG    1        3.704  -0.097  -1.381  0.00  0.00    -0.450 OA
BRANCH  21  23
ATOM     22  C   LIG    1        5.440   0.058  -3.016  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        5.123  -0.200  -1.556  0.00  0.00    +0.230 C 
ENDBRANCH  21  23
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 4