REMARK  Name = BDB029414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.027   0.211   1.051  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.993  -0.259   0.237  0.00  0.00    -0.285 N 
ATOM      3  H   LIG    1       -0.802  -1.101  -0.291  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.040   1.172   1.809  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.291   0.274   0.086  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -3.159  -0.414  -0.779  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -4.442   0.075  -0.960  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -5.562  -0.449  -1.808  0.00  0.00    +0.133 C 
ATOM      9  C   LIG    1       -6.676   0.569  -1.535  0.00  0.00    +0.222 C 
ATOM     10  N   LIG    1       -6.173   1.509  -0.643  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -6.717   2.288  -0.304  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -7.799   0.563  -2.010  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.862   1.225  -0.301  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -4.041   1.926   0.551  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -2.741   1.439   0.741  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  21
ATOM     16  C   LIG    1        6.119  -1.150  -1.020  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1        5.547  -1.135   0.375  0.00  0.00    +0.212 C 
ATOM     18  N   LIG    1        4.169  -0.945   0.497  0.00  0.00    -0.302 N 
ATOM     19  C   LIG    1        3.244  -1.187  -0.608  0.00  0.00    +0.108 C 
ATOM     20  C   LIG    1        1.942  -0.407  -0.465  0.00  0.00    +0.032 C 
ATOM     21  C   LIG    1        1.306  -0.618   0.913  0.00  0.00    +0.078 C 
ATOM     22  C   LIG    1        2.324  -0.251   1.999  0.00  0.00    +0.032 C 
ATOM     23  C   LIG    1        3.609  -1.051   1.843  0.00  0.00    +0.108 C 
ATOM     24  O   LIG    1        6.290  -1.275   1.346  0.00  0.00    -0.276 OA
ENDBRANCH   1  21
TORSDOF 2