REMARK  Name = BDB045463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.009  -0.252  -0.959  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -0.104   0.037  -0.200  0.00  0.00    -0.282 N 
ATOM      3  H   LIG    1       -0.082   0.896   0.334  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        1.155  -1.154  -1.772  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.304  -0.704  -0.129  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -2.336  -0.177   0.662  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -3.554  -0.860   0.789  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.735  -2.087   0.144  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.713  -2.613  -0.643  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -1.505  -1.922  -0.781  0.00  0.00    +0.023 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.666  -0.330   1.620  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1       -5.517  -1.065   2.102  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -4.728   1.025   1.795  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -5.572   1.363   2.243  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -4.263   1.661   1.163  0.00  0.00    +0.145 HD
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  17
ATOM     16  C   LIG    1        2.528   1.103   0.434  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1        2.115   0.717  -0.780  0.00  0.00    +0.072 C 
BRANCH  16  21
ATOM     18  C   LIG    1        5.311   0.460  -0.383  0.00  0.00    +0.128 C 
ATOM     19  N   LIG    1        4.859   1.742   0.108  0.00  0.00    -0.315 N 
ATOM     20  H   LIG    1        5.548   2.474   0.234  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        3.622   2.081   0.561  0.00  0.00    +0.237 C 
ATOM     22  O   LIG    1        3.408   3.162   1.097  0.00  0.00    -0.271 OA
ENDBRANCH  16  21
ENDBRANCH   1  17
TORSDOF 4