REMARK  Name = BDB029266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.696  -0.281  -1.431  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -1.347   1.180  -1.162  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.167   1.145  -1.311  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        0.554  -0.242  -0.784  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.620  -1.087  -0.913  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -5.052  -1.490   1.906  0.00  0.00    +0.130 A 
ATOM      7  C   LIG    1       -4.562  -1.310   0.604  0.00  0.00    +0.072 A 
ATOM      8  C   LIG    1       -5.038  -1.473  -0.719  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.048  -1.112  -1.599  0.00  0.00    +0.106 A 
ATOM     10  N   LIG    1       -2.955  -0.728  -0.854  0.00  0.00    -0.302 N 
ATOM     11 BR   LIG    1       -6.749  -2.076  -1.202  0.00  0.00    -0.048 Br
ATOM     12  C   LIG    1       -3.255  -0.840   0.487  0.00  0.00    +0.149 A 
ATOM     13  N   LIG    1       -2.426  -0.542   1.506  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -3.013  -0.748   2.700  0.00  0.00    +0.225 A 
ATOM     15  N   LIG    1       -4.256  -1.192   2.951  0.00  0.00    -0.220 NA
BRANCH   6  16
ATOM     16  N   LIG    1       -6.326  -1.948   2.205  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -6.584  -1.726   3.159  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -7.023  -1.789   1.490  0.00  0.00    +0.144 HD
ENDBRANCH   6  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  O   LIG    1       -1.936   2.080  -2.104  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1       -1.319   2.096  -2.866  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1        0.458   1.241  -2.724  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1        1.429   1.290  -2.807  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1        1.016  -0.256   0.689  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.437   0.261   0.831  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        3.511  -0.576   0.476  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        4.786  -0.072   0.587  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1        6.241  -0.390   0.402  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1        6.520   1.064   0.906  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1        5.031   1.203   1.029  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1        4.018   2.055   1.392  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        2.708   1.575   1.290  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1        0.125   0.503   1.505  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -0.722   0.007   1.512  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7