REMARK  Name = BDB012311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.088  -2.034  -0.781  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -2.334  -1.401  -0.806  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1       -3.322  -2.267  -1.191  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1       -2.697  -3.424  -1.394  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -1.320  -3.342  -1.157  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.642  -0.035  -0.484  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1       -1.645   0.798  -0.082  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1       -1.962   2.077   0.208  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1       -3.242   2.586   0.127  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.259   1.725  -0.281  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -3.962   0.396  -0.592  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -5.664   2.178  -0.399  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -6.608   1.495  -0.747  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -5.820   3.473  -0.072  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -6.781   3.629  -0.195  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.025  -1.371  -0.445  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.230  -2.132  -0.371  0.00  0.00    +0.266 C 
BRANCH  17  21
ATOM     18  C   LIG    1        4.572   0.288   0.956  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        3.272   0.648   1.304  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        2.187  -0.124   0.870  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        2.384  -1.261   0.074  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        3.696  -1.623  -0.260  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        4.777  -0.851   0.174  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1        5.556   2.124   2.098  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        5.715   0.950   1.312  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7