REMARK  Name = BDB012273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.465  -1.042  -2.596  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -0.819  -0.533  -1.359  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -1.440   0.010  -0.211  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1       -0.405   0.329   0.648  0.00  0.00    +0.225 A 
ATOM      5  N   LIG    1        0.772  -0.047  -0.001  0.00  0.00    -0.181 N 
ATOM      6  N   LIG    1        0.511  -0.565  -1.241  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.841   0.231   0.078  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1       -3.590   1.115  -0.707  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -4.941   1.329  -0.428  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.549   0.659   0.634  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.809  -0.226   1.417  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.458  -0.442   1.140  0.00  0.00    +0.009 A 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  C   LIG    1        2.124   0.058   0.473  0.00  0.00    +0.158 A 
ATOM     14  N   LIG    1        2.364   0.573   1.708  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        3.643   0.660   2.128  0.00  0.00    +0.114 A 
ATOM     16  C   LIG    1        4.724   0.254   1.373  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        4.472  -0.274   0.109  0.00  0.00    +0.064 A 
ATOM     18  C   LIG    1        3.158  -0.376  -0.353  0.00  0.00    +0.063 A 
BRANCH  17  19
ATOM     19  C   LIG    1        5.566  -0.737  -0.775  0.00  0.00    +0.337 C 
ATOM     20  O   LIG    1        5.436  -1.208  -1.889  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        6.781  -0.588  -0.219  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        7.394  -0.929  -0.904  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   5  13
BRANCH   4  23
ATOM     23  O   LIG    1       -0.423   0.893   1.858  0.00  0.00    -0.492 OA
ATOM     24  H   LIG    1       -1.342   1.140   2.059  0.00  0.00    +0.294 HD
ENDBRANCH   4  23
TORSDOF 5