REMARK  Name = BDB039312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.160   0.305   0.530  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -1.258   1.083   0.121  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -2.487   0.462  -0.019  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.808   1.037  -0.408  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.667  -0.138  -0.458  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.022  -1.272   0.014  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.486  -2.374   0.231  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.621  -0.900   0.240  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.565  -1.692   0.646  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.319  -1.076   0.788  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1        3.419   1.364  -0.147  0.00  0.00    -0.029 A 
ATOM     12  C   LIG    1        3.699   2.159   0.912  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        2.728   2.352   1.929  0.00  0.00    +0.066 A 
ATOM     14  N   LIG    1        1.496   1.728   1.788  0.00  0.00    -0.299 N 
ATOM     15  C   LIG    1        0.769   2.072   2.905  0.00  0.00    +0.204 A 
ATOM     16  N   LIG    1        1.438   2.865   3.715  0.00  0.00    -0.243 NA
ATOM     17  C   LIG    1        1.162   0.930   0.685  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        2.659   3.042   3.117  0.00  0.00    +0.138 A 
ATOM     19  C   LIG    1        2.092   0.750  -0.278  0.00  0.00    +0.031 A 
BRANCH  11  20
ATOM     20  C   LIG    1        4.412   1.150  -1.272  0.00  0.00    +0.119 C 
BRANCH  20  24
ATOM     21  C   LIG    1        8.028  -1.766  -0.750  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        6.594  -1.674  -0.239  0.00  0.00    +0.001 C 
ATOM     23  C   LIG    1        6.103  -0.226  -0.115  0.00  0.00    +0.088 C 
ATOM     24  N   LIG    1        5.211  -0.070  -1.260  0.00  0.00    -0.298 NA
ATOM     25  C   LIG    1        4.487  -1.327  -1.378  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1        5.608  -2.342  -1.208  0.00  0.00    +0.020 C 
ENDBRANCH  20  24
ENDBRANCH  11  20
ENDBRANCH   1  17
BRANCH   5  27
ATOM     27  C   LIG    1       -6.116  -0.012  -0.585  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1       -6.782   0.146   0.791  0.00  0.00    +0.240 C 
ATOM     29  O   LIG    1       -6.235   0.690   1.750  0.00  0.00    -0.273 OA
ATOM     30  N   LIG    1       -8.096  -0.252   0.874  0.00  0.00    -0.255 N 
ATOM     31  H   LIG    1       -8.543  -0.116   1.770  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1       -8.902  -0.717  -0.135  0.00  0.00    +0.219 C 
ATOM     33  O   LIG    1      -10.099  -0.912   0.051  0.00  0.00    -0.275 OA
ATOM     34  C   LIG    1       -8.260  -0.885  -1.493  0.00  0.00    +0.098 C 
ATOM     35  C   LIG    1       -6.768  -1.150  -1.369  0.00  0.00    +0.041 C 
ENDBRANCH   5  27
TORSDOF 4