REMARK  Name = BDB021390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.044   0.429   0.719  0.00  0.00    +0.141 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1        3.803   0.905   0.351  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        4.137  -0.387  -0.368  0.00  0.00    -0.030 A 
ATOM      4  C   LIG    1        3.144  -1.365  -0.556  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        3.458  -2.571  -1.196  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        4.756  -2.806  -1.653  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        5.739  -1.837  -1.466  0.00  0.00    +0.018 A 
ATOM      8 BR   LIG    1        7.499  -2.158  -2.080  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        1.750  -1.141  -0.070  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        0.933  -2.057  -0.099  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1        1.445   0.136   0.408  0.00  0.00    -0.294 N 
ATOM     12  C   LIG    1        5.441  -0.634  -0.826  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        2.331   1.247   0.078  0.00  0.00    +0.116 C 
BRANCH   2  15
ATOM     14  C   LIG    1        3.953   2.063   2.632  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        4.140   0.771   1.850  0.00  0.00    +0.006 C 
ENDBRANCH   2  15
ENDBRANCH   1  11
BRANCH   1  16
ATOM     16  C   LIG    1       -0.775   0.834  -0.526  0.00  0.00    +0.149 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.309   0.749  -0.300  0.00  0.00    +0.088 C 
ATOM     18  N   LIG    1       -3.005   1.279  -1.492  0.00  0.00    -0.307 NA
ATOM     19  H   LIG    1       -2.579   2.159  -1.780  0.00  0.00    +0.123 HD
ATOM     20  C   LIG    1       -4.433   1.451  -1.229  0.00  0.00    +0.117 C 
ATOM     21  C   LIG    1       -5.083   0.219  -0.644  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.309  -0.788  -0.038  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1       -4.939  -1.915   0.510  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.328  -2.028   0.483  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.098  -1.023  -0.097  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.480   0.096  -0.657  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.800  -0.686  -0.026  0.00  0.00    +0.056 C 
ENDBRANCH  16  17
BRANCH  16  28
ATOM     28  O   LIG    1       -0.436   2.200  -0.871  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1       -0.798   2.773  -0.173  0.00  0.00    +0.210 HD
ENDBRANCH  16  28
ENDBRANCH   1  16
TORSDOF 5