REMARK  Name = BDB064994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.948   0.008   0.922  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1       -1.103   0.198  -0.059  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.344  -0.071   1.391  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        0.643  -0.591   2.460  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.404   0.486   0.506  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.701  -0.038   0.611  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        3.749   0.446  -0.190  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        3.459   1.478  -1.098  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        2.173   2.015  -1.199  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.145   1.524  -0.396  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        5.108  -0.109  -0.077  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1        5.740  -0.232   1.167  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        7.022  -0.758   1.224  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        7.715  -1.167   0.141  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        7.095  -1.047  -1.050  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        5.817  -0.532  -1.208  0.00  0.00    +0.028 A 
ENDBRANCH   7  11
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  C   LIG    1       -2.026  -0.623   1.647  0.00  0.00    +0.140 C 
BRANCH  17  20
ATOM     18  C   LIG    1       -5.190  -0.625  -0.487  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -3.969  -1.004   0.080  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.355  -0.222   1.069  0.00  0.00    -0.027 A 
ATOM     21  C   LIG    1       -3.977   0.966   1.474  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -5.195   1.349   0.913  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.801   0.555  -0.064  0.00  0.00    +0.045 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -6.931  -1.169  -2.011  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -5.669  -1.485  -1.436  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 5