REMARK  Name = BDB002482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.880   1.236   0.579  0.00  0.00    +0.249 C 
ATOM      2  N   LIG    1       -1.053   0.142   0.411  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -1.484  -0.771   0.491  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.568   2.419   0.614  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -5.805   1.346   3.575  0.00  0.00    +0.065 C 
ATOM      6  C   LIG    1       -5.160   0.936   2.286  0.00  0.00    +0.040 A 
ATOM      7  N   LIG    1       -5.902   0.204   1.424  0.00  0.00    -0.252 NA
ATOM      8  C   LIG    1       -5.376  -0.162   0.242  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -4.061   0.160  -0.143  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -3.604  -0.236  -1.427  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -4.423  -0.959  -2.291  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.710  -1.291  -1.891  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -3.301   0.883   0.803  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -6.170  -0.887  -0.636  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.854   1.296   2.014  0.00  0.00    +0.036 A 
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  C   LIG    1        0.335   0.149   0.170  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        0.977  -1.085   0.066  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        2.356  -1.157  -0.179  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        3.147  -0.009  -0.328  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        2.477   1.218  -0.220  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        1.096   1.303   0.023  0.00  0.00    +0.025 A 
BRANCH  19  22
ATOM     22  N   LIG    1        4.507  -0.083  -0.566  0.00  0.00    -0.326 N 
ATOM     23  C   LIG    1        5.146  -1.298  -1.097  0.00  0.00    +0.133 C 
ATOM     24  C   LIG    1        6.418  -0.928  -1.879  0.00  0.00    +0.178 C 
ATOM     25  O   LIG    1        7.400  -0.230  -1.102  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1        6.832   0.558  -0.046  0.00  0.00    +0.178 C 
ATOM     27  C   LIG    1        5.405   1.059  -0.332  0.00  0.00    +0.133 C 
ENDBRANCH  19  22
ENDBRANCH   2  16
TORSDOF 3