REMARK  Name = BDB018398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.458  -0.242  -1.114  0.00  0.00    +0.154 A 
ATOM      2  N   LIG    1        1.452  -1.007  -1.690  0.00  0.00    -0.252 N 
ATOM      3  N   LIG    1        1.064  -2.274  -1.978  0.00  0.00    -0.178 NA
ATOM      4  C   LIG    1       -0.196  -2.327  -1.552  0.00  0.00    +0.143 A 
ATOM      5  C   LIG    1       -0.630  -1.100  -1.015  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -1.935  -0.814  -0.504  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.749   0.087  -1.083  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1       -4.015   0.365  -0.593  0.00  0.00    -0.317 N 
ATOM      9  C   LIG    1       -4.819   1.360  -1.284  0.00  0.00    +0.152 C 
ATOM     10  C   LIG    1       -4.535  -0.267   0.536  0.00  0.00    +0.254 A 
ATOM     11  O   LIG    1       -5.649  -0.041   1.003  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -3.641  -1.280   1.188  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -4.178  -1.972   2.400  0.00  0.00    +0.049 C 
ATOM     14  C   LIG    1       -2.424  -1.515   0.671  0.00  0.00    +0.018 A 
ENDBRANCH   5   6
BRANCH   1  15
ATOM     15  C   LIG    1        0.629   1.135  -0.726  0.00  0.00    +0.358 C 
ATOM     16  O   LIG    1        1.424   1.917  -1.231  0.00  0.00    -0.243 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -0.210   1.445   0.299  0.00  0.00    -0.460 OA
BRANCH  17  19
ATOM     18  C   LIG    1        0.971   2.869   1.858  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -0.123   2.781   0.810  0.00  0.00    +0.229 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   2  20
ATOM     20  C   LIG    1        2.836  -0.626  -1.968  0.00  0.00    +0.179 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.674  -0.595  -0.712  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1        3.915  -1.770   0.016  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.689  -1.741   1.177  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.235  -0.539   1.621  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.009   0.635   0.905  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.236   0.607  -0.257  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6