REMARK  Name = BDB059097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.484   0.612   0.444  0.00  0.00    -0.038 C 
ATOM      2  C   LIG    1       -1.810  -0.722   0.622  0.00  0.00    +0.054 C 
ATOM      3  C   LIG    1       -0.335  -0.553   0.996  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1        0.325   0.384   0.068  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -0.256   1.736   0.087  0.00  0.00    +0.135 C 
ATOM      6  C   LIG    1       -1.753   1.716   0.209  0.00  0.00    -0.004 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.693   0.259  -0.100  0.00  0.00    +0.199 A 
ATOM      8  N   LIG    1        2.242   0.901  -1.175  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1        1.642   1.353  -1.843  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1        3.562   0.830  -1.505  0.00  0.00    +0.256 A 
ATOM     11  O   LIG    1        4.014   1.363  -2.512  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        4.404   0.067  -0.566  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        5.874  -0.025  -0.844  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1        6.570  -1.101  -0.008  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        6.073  -1.082   1.433  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1        4.561  -1.311   1.496  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1        3.783  -0.517   0.472  0.00  0.00    +0.053 A 
ATOM     18  N   LIG    1        2.431  -0.444   0.705  0.00  0.00    -0.220 NA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     19  C   LIG    1       -4.814  -0.081  -0.279  0.00  0.00    +0.127 A 
ATOM     20  C   LIG    1       -3.958   0.673   0.552  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.519   1.505   1.537  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -5.901   1.591   1.700  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -6.740   0.845   0.881  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.201   0.013  -0.104  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -5.052  -1.602  -2.110  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.213  -0.861  -1.235  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH   1  20
TORSDOF 3