REMARK  Name = BDB043103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.515   1.438  -1.421  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -1.593   0.310  -0.906  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -2.012  -0.549  -0.124  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.276   0.349  -1.315  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        0.254   1.249  -2.332  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        1.595   0.630  -2.737  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        2.020  -0.252  -1.566  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        2.948   0.449  -0.575  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        3.261  -0.456   0.626  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.160  -1.355   1.006  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        0.849  -0.790   0.642  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1        0.376   2.682  -1.804  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -0.957   3.433  -1.779  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.698  -0.665  -0.895  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -2.043   2.800  -0.906  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -4.803   0.563  -1.741  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -3.861   1.152  -0.919  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -3.898   0.880   0.057  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -4.659   0.451  -2.958  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -6.046   0.024  -0.995  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -5.817  -1.464  -0.728  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -8.473  -0.212  -1.270  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -7.238   0.328  -1.807  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -7.078  -0.018  -2.756  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        2.197  -1.731   2.432  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.388  -2.625   2.841  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.675  -1.904   3.172  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        5.845  -2.177   2.449  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        7.040  -1.522   2.754  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        7.073  -0.596   3.794  0.00  0.00    +0.018 A 
ATOM     31 BR   LIG    1        8.689   0.293   4.208  0.00  0.00    -0.050 Br
ATOM     32  C   LIG    1        5.924  -0.323   4.532  0.00  0.00    +0.015 A 
ATOM     33  C   LIG    1        4.730  -0.979   4.225  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6