REMARK  Name = BDB003210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.758   1.027   0.207  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1       -0.354   0.143   0.011  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -0.499  -1.179  -0.450  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1       -1.778  -1.574  -0.384  0.00  0.00    -0.169 NA
ATOM      5  N   LIG    1       -2.484  -0.479   0.021  0.00  0.00    -0.216 N 
ATOM      6  C   LIG    1        0.532  -2.135  -0.930  0.00  0.00    +0.068 C 
ATOM      7  C   LIG    1       -1.616   0.548   0.363  0.00  0.00    +0.145 A 
ATOM      8  N   LIG    1       -1.879   1.746   0.986  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -2.789   1.990   1.355  0.00  0.00    +0.170 HD
ATOM     10  C   LIG    1       -0.844   2.614   1.252  0.00  0.00    +0.268 A 
ATOM     11  O   LIG    1       -1.065   3.667   1.844  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1        0.542   2.233   0.798  0.00  0.00    +0.124 A 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1        4.298  -0.321   0.277  0.00  0.00    +0.162 A 
ATOM     14  C   LIG    1        4.709  -0.011  -1.027  0.00  0.00    +0.158 A 
ATOM     15  C   LIG    1        3.857   0.639  -1.919  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        2.568   0.983  -1.513  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        2.135   0.676  -0.216  0.00  0.00    -0.012 A 
ATOM     18  C   LIG    1        3.004   0.026   0.676  0.00  0.00    +0.058 A 
BRANCH  13  20
ATOM     19  C   LIG    1        4.902  -1.121   2.442  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        5.214  -0.967   1.065  0.00  0.00    -0.491 OA
ENDBRANCH  13  20
BRANCH  14  21
ATOM     21  O   LIG    1        5.973  -0.355  -1.427  0.00  0.00    -0.503 OA
ATOM     22  H   LIG    1        6.136  -0.004  -2.315  0.00  0.00    +0.292 HD
ENDBRANCH  14  21
ENDBRANCH   1  17
BRANCH   5  23
ATOM     23  C   LIG    1       -3.908  -0.519   0.027  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -4.552  -1.767  -0.009  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -5.946  -1.845   0.001  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -6.709  -0.680   0.032  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.079   0.563   0.037  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.683   0.648   0.028  0.00  0.00    +0.028 A 
ENDBRANCH   5  23
BRANCH  12  29
ATOM     29  C   LIG    1        1.574   3.186   1.035  0.00  0.00    +0.105 C 
ATOM     30  N   LIG    1        2.441   3.939   1.208  0.00  0.00    -0.191 NA
ENDBRANCH  12  29
TORSDOF 5