REMARK  Name = BDB052890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.503  -0.672  -0.632  0.00  0.00    +0.050 C 
ATOM      2  C   LIG    1        0.710  -1.943  -0.249  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1        1.634  -3.135   0.061  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1        2.585  -3.404  -1.026  0.00  0.00    -0.313 NA
ATOM      5  H   LIG    1        2.031  -3.541  -1.877  0.00  0.00    +0.122 HD
ATOM      6  C   LIG    1        3.464  -2.254  -1.229  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1        2.694  -0.978  -1.562  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   1  12
ATOM      8 BR   LIG    1        2.609   2.911   4.336  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        2.293   1.819   2.826  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        1.265   2.136   1.946  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        1.036   1.325   0.833  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        1.828   0.188   0.583  0.00  0.00    -0.042 A 
ATOM     13  C   LIG    1        2.853  -0.114   1.488  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.087   0.699   2.603  0.00  0.00    +0.015 A 
ENDBRANCH   1  12
BRANCH   2  15
ATOM     15  O   LIG    1       -0.117  -2.318  -1.374  0.00  0.00    -0.370 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -1.517  -2.275  -1.090  0.00  0.00    +0.195 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.028  -0.857  -1.050  0.00  0.00    -0.021 A 
ATOM     18  C   LIG    1       -2.478  -0.290   0.152  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1       -2.913   1.045   0.207  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1       -2.904   1.826  -0.971  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -3.331   3.162  -0.913  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -3.759   3.722   0.292  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.766   2.954   1.452  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.462   1.251  -2.171  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -3.346   1.624   1.411  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -2.026  -0.075  -2.210  0.00  0.00    +0.006 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 4