REMARK  Name = BDB021826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.665   0.368   0.247  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.439  -0.794   0.095  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.740  -0.669   0.530  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1        3.103   0.274   0.580  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.977  -1.817  -0.401  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.724  -1.683   0.625  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        5.065  -1.344   0.855  0.00  0.00    +0.128 A 
ATOM      8 BR   LIG    1        5.579   0.489   1.021  0.00  0.00    -0.027 Br
ATOM      9  N   LIG    1        6.074  -2.243   0.977  0.00  0.00    -0.243 NA
ATOM     10  C   LIG    1        5.756  -3.551   0.869  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        6.871  -4.545   0.998  0.00  0.00    +0.065 C 
ATOM     12  C   LIG    1        4.455  -3.986   0.650  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        3.433  -3.042   0.532  0.00  0.00    +0.028 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1       -3.479   0.463  -0.690  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1       -3.105   0.278   0.707  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -1.683  -0.287   0.801  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -0.730   0.315  -0.250  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -1.264   1.652  -0.774  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -2.668   1.480  -1.370  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1       -4.917   0.598  -0.968  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1       -5.612   1.649  -0.087  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -5.670  -0.750  -0.857  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.955  -2.516  -1.613  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -5.275  -1.812  -1.891  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1        1.013   1.410   1.221  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.960   2.476   0.712  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        2.550   3.348   1.642  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.440   4.341   1.227  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.747   4.481  -0.123  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.164   3.631  -1.059  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.274   2.638  -0.646  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7