REMARK  Name = BDB021846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.993   0.077   1.093  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.176  -0.676   1.063  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.382  -1.365  -0.116  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.534  -1.790  -0.449  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -2.941  -0.730   2.023  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.576  -2.058  -0.444  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.460  -3.350  -1.013  0.00  0.00    -0.028 A 
ATOM      8  C   LIG    1       -2.127  -4.010  -1.251  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -4.621  -4.071  -1.342  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -5.877  -3.518  -1.124  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1       -7.428  -4.508  -1.560  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -5.998  -2.235  -0.604  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -4.855  -1.476  -0.288  0.00  0.00    -0.028 A 
ATOM     14  C   LIG    1       -5.086  -0.062   0.176  0.00  0.00    +0.046 C 
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1        2.792   0.543  -0.860  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1        2.386  -0.521   0.056  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.934  -0.967  -0.111  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -0.063   0.208  -0.057  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1        0.641   1.565  -0.196  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        1.728   1.465  -1.264  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1        3.701   0.181  -1.958  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        3.162  -0.939  -2.858  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1        5.114  -0.189  -1.446  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1        7.188   0.559  -0.223  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        5.770   0.929  -0.630  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   1  26
ATOM     26  C   LIG    1       -0.617   0.655   2.390  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -0.975   2.118   2.553  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -0.033   3.016   3.080  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -0.352   4.364   3.258  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.623   4.829   2.926  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.575   3.946   2.424  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.256   2.599   2.244  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 7