REMARK  Name = BDB043084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.595   0.277   3.233  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        0.579  -0.262   2.380  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        1.623   0.398   2.315  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.369  -1.327   1.524  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -0.598  -2.406   1.722  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.233  -3.480   0.689  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        0.689  -2.800  -0.314  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1       -0.050  -2.244  -1.532  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        0.916  -1.511  -2.475  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.081  -0.928  -1.788  0.00  0.00    -0.296 NA
ATOM     11  C   LIG    1        1.733  -0.473  -0.433  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -2.035  -1.907   1.606  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -2.573  -1.365   2.931  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        1.353  -1.666   0.485  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -1.535  -0.745   3.868  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -2.061   2.270   3.016  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -1.288   1.289   2.438  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -1.035   1.373   1.462  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -2.286   2.324   4.224  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -2.603   3.323   2.023  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -1.728   4.571   2.143  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -4.647   4.593   1.538  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -4.032   3.537   2.322  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -4.124   3.738   3.322  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        2.694   0.158  -2.570  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.295  -0.311  -3.879  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        2.847   0.210  -5.102  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.412  -0.218  -6.305  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.431  -1.169  -6.298  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.887  -1.693  -5.089  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.322  -1.267  -3.886  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 5