REMARK  Name = BDB018084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.571  -0.253  -1.245  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.727  -0.684  -0.051  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.634  -0.876  -0.226  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1        1.450  -1.229   0.934  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        2.757  -0.441   0.937  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1        3.513  -0.521  -0.401  0.00  0.00    +0.063 C 
ATOM      7  C   LIG    1        2.754  -1.348  -1.448  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1        1.292  -0.926  -1.531  0.00  0.00    +0.108 C 
ATOM      9  O   LIG    1       -1.275  -0.813   1.048  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        4.920  -1.078  -0.181  0.00  0.00    +0.169 C 
ATOM     11  O   LIG    1        5.179  -2.257  -0.419  0.00  0.00    -0.292 OA
BRANCH  10  12
ATOM     12  C   LIG    1        5.949  -0.183   0.336  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        7.264  -0.525   0.590  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        7.875   0.598   1.062  0.00  0.00    -0.274 N 
ATOM     15  C   LIG    1        9.252   0.735   1.467  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1        7.051   1.658   1.136  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        5.883   1.181   0.698  0.00  0.00    +0.145 A 
ENDBRANCH  10  12
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  19
ATOM     18  C   LIG    1       -0.826   2.166  -1.391  0.00  0.00    +0.008 C 
ATOM     19  C   LIG    1       -2.015   1.223  -1.190  0.00  0.00    +0.002 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.784   1.627   0.082  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.059   0.836   0.268  0.00  0.00    +0.111 A 
ATOM     22  N   LIG    1       -3.966  -0.289   1.040  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.062  -0.587   1.406  0.00  0.00    +0.170 HD
ATOM     24  C   LIG    1       -5.021  -1.135   1.269  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1       -4.915  -2.170   1.916  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -6.302  -0.722   0.670  0.00  0.00    +0.065 A 
ATOM     27  C   LIG    1       -6.308   0.447  -0.095  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1       -7.509   0.857  -0.678  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -8.678   0.111  -0.499  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -8.656  -1.056   0.267  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.464  -1.478   0.855  0.00  0.00    +0.015 A 
ATOM     32  N   LIG    1       -5.154   1.223  -0.302  0.00  0.00    -0.234 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6