REMARK  Name = BDB005987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.286  -1.350   0.392  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.997  -0.965   0.043  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.929  -0.268   0.787  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.856  -0.086  -0.076  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -2.065  -0.746  -1.348  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -2.976   0.065   1.957  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.464  -1.251  -1.226  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -4.197  -1.931  -2.186  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -5.489  -2.330  -1.861  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -6.023  -2.044  -0.593  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.545   0.382   0.384  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1        0.294  -0.756   0.992  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        1.447  -1.161   0.077  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1        2.352  -0.058  -0.272  0.00  0.00    -0.298 NA
ATOM     15  C   LIG    1        1.699   1.262  -0.289  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.228   1.166  -0.683  0.00  0.00    +0.038 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.562  -0.058   0.568  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.641   0.884   0.069  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1        5.206   0.704  -1.203  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        6.204   1.564  -1.666  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        6.643   2.609  -0.856  0.00  0.00    +0.018 A 
ATOM     22 BR   LIG    1        7.993   3.776  -1.480  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1        6.095   2.801   0.411  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        5.096   1.939   0.873  0.00  0.00    +0.006 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   4  11
BRANCH   1  28
ATOM     25  N   LIG    1       -5.436  -0.304   2.627  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -4.470   0.018   2.595  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -5.904  -0.247   3.521  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -5.989  -1.113   1.685  0.00  0.00    +0.242 C 
ATOM     29  O   LIG    1       -7.079  -1.634   1.908  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 4