REMARK  Name = BDB054665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.035  -1.090  -0.457  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -0.974  -0.105  -0.038  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -2.167  -0.654   0.227  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -2.052  -1.962  -0.108  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.778  -2.254  -0.525  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.795   1.339   0.116  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -0.159   2.095  -0.880  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        0.015   3.474  -0.723  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -0.462   4.104   0.434  0.00  0.00    +0.126 A 
ATOM     10  C   LIG    1       -1.110   3.364   1.430  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -1.277   1.986   1.265  0.00  0.00    +0.012 A 
BRANCH   9  12
ATOM     12  N   LIG    1       -0.282   5.552   0.602  0.00  0.00    +0.056 N 
ATOM     13  O   LIG    1       -0.678   6.062   1.660  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1        0.263   6.176  -0.319  0.00  0.00    -0.126 OA
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   4  15
ATOM     15  C   LIG    1       -3.163  -2.845   0.005  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1       -4.395  -2.349   0.462  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -5.497  -3.198   0.580  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.380  -4.545   0.243  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.161  -5.045  -0.212  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.053  -4.201  -0.334  0.00  0.00    +0.028 A 
ENDBRANCH   4  15
BRANCH   1  22
ATOM     21  O   LIG    1        1.861  -1.756  -1.635  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        1.382  -1.008  -0.792  0.00  0.00    +0.252 C 
ATOM     23  N   LIG    1        2.079  -0.074  -0.049  0.00  0.00    -0.281 N 
ATOM     24  H   LIG    1        1.573   0.378   0.701  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.435   0.290  -0.172  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        4.300  -0.224  -1.141  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        5.632   0.201  -1.201  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        6.103   1.143  -0.292  0.00  0.00    +0.018 A 
ATOM     29 BR   LIG    1        7.902   1.715  -0.374  0.00  0.00    -0.050 Br
ATOM     30  C   LIG    1        5.254   1.667   0.678  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1        3.923   1.241   0.735  0.00  0.00    +0.024 A 
ENDBRANCH  23  25
ENDBRANCH   1  22
TORSDOF 5