REMARK  Name = BDB003723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.927  -2.397   0.304  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1       -0.594  -1.407   1.220  0.00  0.00    +0.216 C 
ATOM      3  O   LIG    1       -1.457  -0.894   1.937  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -0.044  -2.838  -0.782  0.00  0.00    +0.108 C 
BRANCH   4   6
ATOM      5  C   LIG    1        0.883  -2.344  -3.071  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -0.142  -1.947  -2.020  0.00  0.00    +0.016 C 
ENDBRANCH   4   6
ENDBRANCH   1   4
BRANCH   2   7
ATOM      7  C   LIG    1        0.863  -0.981   1.295  0.00  0.00    +0.099 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.085   0.123   2.332  0.00  0.00    +0.050 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.559   0.498   2.461  0.00  0.00    +0.229 C 
BRANCH   9  10
ATOM     10  O   LIG    1        3.021   0.977   1.198  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1        4.338   1.333   1.108  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        5.270   1.306   2.147  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        6.593   1.696   1.914  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1        6.982   2.115   0.643  0.00  0.00    +0.018 A 
ATOM     15 BR   LIG    1        8.771   2.641   0.332  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1        6.059   2.149  -0.399  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1        4.740   1.758  -0.162  0.00  0.00    +0.047 A 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   2   7
BRANCH   1  18
ATOM     18  C   LIG    1       -2.323  -2.856   0.260  0.00  0.00    +0.203 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.233  -1.988  -0.622  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1       -3.341  -0.687  -0.163  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -2.833  -0.495   0.701  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1       -3.800  -2.477  -1.596  0.00  0.00    -0.274 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.061   0.389  -0.728  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1       -4.036   1.642  -0.074  0.00  0.00    -0.029 A 
ATOM     25  C   LIG    1       -3.270   1.872   1.202  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1       -4.741   2.725  -0.630  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.464   2.578  -1.811  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.489   1.346  -2.452  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.792   0.261  -1.915  0.00  0.00    +0.023 A 
ENDBRANCH  20  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10