REMARK  Name = BDB020637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.851  -0.306   0.196  0.00  0.00    +0.110 A 
ATOM      2  N   LIG    1       -1.724  -0.207   1.611  0.00  0.00    -0.303 N 
ATOM      3  C   LIG    1       -0.642   0.392   2.255  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.843   0.334   3.619  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -2.071  -0.319   3.814  0.00  0.00    +0.036 A 
ATOM      6 BR   LIG    1       -2.827  -0.668   5.491  0.00  0.00    -0.049 Br
ATOM      7  C   LIG    1        0.402   0.912   1.445  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        0.313   0.811   0.105  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -2.595  -0.647   2.592  0.00  0.00    +0.108 A 
ATOM     10  C   LIG    1       -0.848   0.207  -0.568  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -0.873   0.257  -2.072  0.00  0.00    +0.048 C 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        1.489   1.347  -0.636  0.00  0.00    +0.245 C 
ATOM     13  N   LIG    1        2.223   0.370  -1.258  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        1.986  -0.604  -1.103  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        1.770   2.538  -0.630  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        3.491   0.639  -1.895  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.601   0.333  -0.933  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        4.865  -1.131  -0.736  0.00  0.00    +0.254 A 
ATOM     19  O   LIG    1        4.184  -1.994  -1.284  0.00  0.00    -0.268 OA
ATOM     20  N   LIG    1        5.900  -1.464   0.100  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        6.059  -2.457   0.220  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        6.680  -0.555   0.770  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        7.757  -1.100   1.655  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        6.440   0.753   0.606  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        5.377   1.222  -0.273  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1        5.246   2.719  -0.344  0.00  0.00    +0.044 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   8  12
BRANCH   1  27
ATOM     27  N   LIG    1       -3.017  -0.918  -0.304  0.00  0.00    -0.313 N 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.201  -0.119  -0.740  0.00  0.00    +0.079 C 
ATOM     29  C   LIG    1       -5.493  -0.774  -0.215  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1       -6.616   0.235  -0.022  0.00  0.00    +0.161 C 
ATOM     31  O   LIG    1       -6.525   1.250  -1.013  0.00  0.00    -0.380 OA
ATOM     32  C   LIG    1       -5.391   2.096  -0.817  0.00  0.00    +0.161 C 
ATOM     33  C   LIG    1       -4.162   1.349  -0.302  0.00  0.00    +0.050 C 
ENDBRANCH  27  28
BRANCH  27  35
ATOM     34  C   LIG    1       -2.886  -3.349   0.104  0.00  0.00    +0.024 C 
ATOM     35  C   LIG    1       -2.898  -2.248  -0.945  0.00  0.00    +0.103 C 
ENDBRANCH  27  35
ENDBRANCH   1  27
TORSDOF 6