REMARK  Name = BDB041033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.027  -1.894  -0.600  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1        1.476  -1.500  -0.641  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1        2.388  -2.708  -0.988  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1        3.385  -2.595  -1.707  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1        2.101  -3.916  -0.394  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        2.759  -4.673  -0.527  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1        0.845  -4.124   0.116  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        0.370  -5.257   0.705  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1        1.086  -6.471   1.008  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1       -0.941  -5.178   0.995  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1       -1.303  -3.949   0.595  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -2.721  -3.528   0.735  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -0.200  -3.232   0.054  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -2.542   1.002   1.464  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1       -1.486   0.369   2.134  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1       -0.688  -0.583   1.496  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1       -0.898  -0.899   0.145  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1       -1.937  -0.240  -0.533  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -2.754   0.693   0.120  0.00  0.00    +0.050 A 
BRANCH  15  20
ATOM     20  O   LIG    1       -1.228   0.622   3.460  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1       -0.409   1.787   3.570  0.00  0.00    +0.277 C 
ENDBRANCH  15  20
BRANCH  14  22
ATOM     22  O   LIG    1       -3.286   1.887   2.198  0.00  0.00    -0.489 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -5.060   3.432   2.558  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1       -4.381   2.525   1.548  0.00  0.00    +0.226 C 
ENDBRANCH  22  24
ENDBRANCH  14  22
ENDBRANCH   1  17
BRANCH   2  25
ATOM     25  N   LIG    1        1.762  -0.447  -1.627  0.00  0.00    -0.299 N 
ATOM     26  H   LIG    1        2.340  -0.735  -2.411  0.00  0.00    +0.150 HD
ATOM     27  C   LIG    1        1.820   0.880  -1.259  0.00  0.00    +0.245 C 
ATOM     28  O   LIG    1        1.555   1.281  -0.132  0.00  0.00    -0.270 OA
BRANCH  27  29
ATOM     29  C   LIG    1        2.279   1.837  -2.307  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        2.833   3.058  -1.898  0.00  0.00    +0.016 A 
ATOM     31  C   LIG    1        3.269   3.997  -2.842  0.00  0.00    -0.050 A 
ATOM     32  C   LIG    1        3.898   5.285  -2.396  0.00  0.00    +0.044 C 
ATOM     33  C   LIG    1        3.162   3.694  -4.204  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1        2.597   2.486  -4.618  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        2.150   1.560  -3.674  0.00  0.00    +0.013 A 
ENDBRANCH  27  29
ENDBRANCH   2  25
TORSDOF 6