REMARK  Name = BDB062091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.661   1.473   0.410  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.045   0.317  -0.117  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1        0.312   0.168  -0.113  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1        1.028   1.195   0.388  0.00  0.00    +0.234 A 
ATOM      5  C   LIG    1        0.427   2.339   0.880  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1       -0.916   2.506   0.901  0.00  0.00    -0.248 NA
ENDROOT
BRANCH   1  11
ATOM      7 BR   LIG    1       -7.756   2.430   0.787  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1       -5.893   2.135   0.680  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -5.073   3.092   0.088  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -3.695   2.869   0.009  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -3.116   1.688   0.509  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.967   0.748   1.120  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -5.346   0.966   1.200  0.00  0.00    +0.016 A 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  C   LIG    1       -1.761  -0.815  -0.734  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.679  -0.628  -1.783  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -3.352  -1.713  -2.355  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -3.104  -3.002  -1.892  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1       -4.012  -4.469  -2.664  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -2.187  -3.218  -0.868  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -1.518  -2.130  -0.298  0.00  0.00    +0.011 A 
ENDBRANCH   2  14
BRANCH   4  21
ATOM     21  O   LIG    1        2.404   1.132   0.426  0.00  0.00    -0.475 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.931  -0.068  -0.149  0.00  0.00    +0.235 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.452  -0.015  -0.065  0.00  0.00    +0.042 C 
ATOM     24  C   LIG    1        5.121  -1.240  -0.662  0.00  0.00    +0.087 C 
ATOM     25  N   LIG    1        6.460  -1.171  -0.082  0.00  0.00    -0.316 NA
ATOM     26  H   LIG    1        6.945  -2.062  -0.169  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1        6.265  -0.817   1.324  0.00  0.00    +0.081 C 
ATOM     28  C   LIG    1        4.995   0.026   1.365  0.00  0.00    +0.023 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 5