REMARK  Name = BDB049278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.835  -0.386  -0.126  0.00  0.00    +0.073 A 
ATOM      2  N   LIG    1       -1.422   0.853   0.349  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.086   1.135   0.502  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -0.034   2.416   0.996  0.00  0.00    +0.142 A 
ATOM      5  N   LIG    1       -1.299   2.935   1.135  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        0.898   0.136   0.158  0.00  0.00    +0.145 A 
ATOM      7  N   LIG    1        0.491  -1.030  -0.290  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1       -2.108   1.975   0.737  0.00  0.00    +0.204 A 
ATOM      9  C   LIG    1       -0.865  -1.275  -0.423  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -5.945  -1.424  -0.612  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.171  -1.107  -1.728  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.825  -0.770  -1.571  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -3.248  -0.745  -0.295  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.032  -1.068   0.821  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -5.377  -1.405   0.661  0.00  0.00    +0.001 A 
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  N   LIG    1        2.242   0.384   0.290  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1        2.519   1.358   0.330  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.238  -0.457  -0.345  0.00  0.00    +0.177 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.634   0.003  -0.097  0.00  0.00    +0.122 A 
ATOM     20  O   LIG    1        4.925   1.288  -0.462  0.00  0.00    -0.466 OA
ATOM     21  C   LIG    1        6.229   1.501  -0.150  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1        6.782   0.375   0.413  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        5.751  -0.595   0.449  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4