REMARK  Name = BDB047080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.141   0.356   0.828  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -2.089   1.245   0.383  0.00  0.00    -0.324 N 
ATOM      3  H   LIG    1       -2.330   2.112   0.848  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -2.666   0.798  -0.782  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1       -2.063  -0.414  -1.088  0.00  0.00    +0.093 A 
ATOM      6  N   LIG    1       -2.387  -1.147  -2.179  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -3.347  -0.611  -2.962  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -4.000   0.591  -2.733  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -3.659   1.337  -1.604  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1       -1.108  -0.686  -0.080  0.00  0.00    +0.095 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -4.286   2.626  -1.261  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1       -4.017   3.303  -0.285  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -5.216   3.004  -2.153  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -5.546   3.862  -1.811  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  O   LIG    1       -0.485   0.647   1.953  0.00  0.00    -0.473 OA
BRANCH  15  16
ATOM     16  C   LIG    1        0.499  -0.293   2.395  0.00  0.00    +0.266 C 
BRANCH  16  22
ATOM     17  C   LIG    1        3.756  -1.049   0.531  0.00  0.00    +0.139 A 
ATOM     18  C   LIG    1        4.307   0.239   0.439  0.00  0.00    +0.083 A 
ATOM     19 CL   LIG    1        5.834   0.516  -0.325  0.00  0.00    -0.080 Cl
ATOM     20  C   LIG    1        3.631   1.342   0.965  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        2.397   1.171   1.591  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        1.827  -0.104   1.694  0.00  0.00    -0.007 A 
ATOM     23  C   LIG    1        2.519  -1.210   1.168  0.00  0.00    +0.054 A 
BRANCH  17  25
ATOM     24  C   LIG    1        3.882  -3.358  -0.072  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        4.489  -2.075  -0.008  0.00  0.00    -0.494 OA
ENDBRANCH  17  25
ENDBRANCH  16  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6