REMARK  Name = BDB012386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.232  -0.969  -0.595  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.457  -1.245   0.018  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        1.468  -2.501   0.565  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.255  -2.986   0.317  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.551  -2.088  -0.393  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.609  -0.394   0.121  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.565   0.859  -0.407  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.661   1.638  -0.295  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.824   1.236   0.329  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.861  -0.047   0.871  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        3.743  -0.878   0.769  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.064  -0.568   1.560  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.182  -1.671   2.058  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.069   0.324   1.595  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.784  -0.149   2.071  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.007   0.200  -1.211  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.306   0.428  -1.735  0.00  0.00    +0.270 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -3.630   0.431  -0.686  0.00  0.00    +0.128 A 
ATOM     19  C   LIG    1       -2.289   0.862  -0.665  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1       -1.867   1.753   0.339  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -2.751   2.190   1.323  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1       -4.068   1.745   1.302  0.00  0.00    +0.021 A 
ATOM     23 BR   LIG    1       -5.273   2.333   2.636  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1       -4.513   0.873   0.306  0.00  0.00    +0.061 A 
BRANCH  18  26
ATOM     25  C   LIG    1       -5.329  -0.837  -1.788  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -3.972  -0.417  -1.707  0.00  0.00    -0.495 OA
ENDBRANCH  18  26
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7