REMARK  Name = BDB009085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.205  -2.212  -1.766  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.110  -1.713  -1.531  0.00  0.00    +0.268 A 
ATOM      3  C   LIG    1       -2.955  -0.571  -0.595  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -4.214  -0.044   0.036  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1       -4.020   1.313   0.716  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -2.723   1.343   1.515  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -1.513   1.068   0.616  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -1.736  -0.059  -0.353  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -0.592  -0.675  -1.091  0.00  0.00    +0.065 A 
ATOM     10  N   LIG    1       -0.708  -1.678  -1.907  0.00  0.00    -0.176 NA
ATOM     11  N   LIG    1       -1.957  -2.178  -2.104  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -2.040  -2.957  -2.748  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        0.812  -0.129  -0.888  0.00  0.00    +0.062 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.548  -0.964   0.157  0.00  0.00    +0.041 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.915  -0.400   0.452  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.098   0.506   1.506  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1        4.363   1.039   1.758  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1        4.597   2.259   3.183  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        5.453   0.682   0.967  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        5.276  -0.214  -0.086  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.014  -0.751  -0.344  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 3