REMARK  Name = BDB051293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.401   0.566   0.303  0.00  0.00    +0.095 A 
ATOM      2  N   LIG    1        1.268  -0.179  -0.407  0.00  0.00    -0.164 NA
ATOM      3  N   LIG    1        2.481   0.317  -0.097  0.00  0.00    -0.215 N 
ATOM      4  C   LIG    1        2.418   1.366   0.784  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        3.552   2.012   1.219  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1        3.506   2.788   1.868  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        4.802   1.619   0.777  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        4.865   0.475  -0.183  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        6.101   0.033  -0.664  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        6.154  -1.038  -1.561  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.978  -1.669  -1.980  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        3.739  -1.236  -1.506  0.00  0.00    +0.028 A 
ATOM     13  O   LIG    1        5.819   2.187   1.157  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        3.693  -0.166  -0.610  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1        1.091   1.556   1.065  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  20
ATOM     16  C   LIG    1       -3.290   0.607   1.141  0.00  0.00    +0.166 A 
ATOM     17  C   LIG    1       -3.797  -0.167   0.084  0.00  0.00    +0.204 A 
ATOM     18  C   LIG    1       -2.953  -0.679  -0.915  0.00  0.00    +0.166 A 
ATOM     19  C   LIG    1       -1.581  -0.435  -0.825  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1       -1.047   0.323   0.233  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -1.913   0.838   1.212  0.00  0.00    +0.059 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -3.763   2.000   3.023  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -4.209   1.066   2.049  0.00  0.00    -0.491 OA
ENDBRANCH  16  23
BRANCH  17  24
ATOM     24  O   LIG    1       -5.158  -0.362  -0.014  0.00  0.00    -0.488 OA
ATOM     25  C   LIG    1       -5.521  -1.571   0.650  0.00  0.00    +0.277 C 
ENDBRANCH  17  24
BRANCH  18  26
ATOM     26  O   LIG    1       -3.558  -1.400  -1.912  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -2.743  -1.834  -2.992  0.00  0.00    +0.277 C 
ENDBRANCH  18  26
ENDBRANCH   1  20
TORSDOF 4