REMARK  Name = BDB056248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.067  -0.683  -0.337  0.00  0.00    -0.183 N 
ATOM      2  C   LIG    1        3.171  -0.029  -1.177  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1        3.264   1.173  -1.425  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   4
ATOM      4  O   LIG    1        3.605  -1.901   0.215  0.00  0.00    -0.292 OA
ATOM      5  H   LIG    1        4.182  -2.549  -0.230  0.00  0.00    +0.242 HD
ENDBRANCH   1   4
BRANCH   1   6
ATOM      6  C   LIG    1        4.845   0.079   0.638  0.00  0.00    +0.151 C 
BRANCH   6   7
ATOM      7  C   LIG    1        6.052   0.753  -0.002  0.00  0.00    +0.142 C 
BRANCH   7   9
ATOM      8  O   LIG    1        6.635   1.534   2.234  0.00  0.00    -0.251 OA
ATOM      9  C   LIG    1        6.852   1.479   1.036  0.00  0.00    +0.306 C 
BRANCH   9  10
ATOM     10  O   LIG    1        7.922   2.103   0.504  0.00  0.00    -0.481 OA
ATOM     11  H   LIG    1        8.351   2.546   1.267  0.00  0.00    +0.295 HD
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  12
ATOM     12  C   LIG    1        2.120  -0.921  -1.825  0.00  0.00    +0.098 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.172  -0.175  -2.767  0.00  0.00    +0.009 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.167   0.756  -2.076  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.831   0.021  -1.176  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.892   0.982  -0.632  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.844   0.333   0.378  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.748  -0.737  -0.241  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.707  -1.368   0.773  0.00  0.00    +0.003 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.771  -0.417   1.239  0.00  0.00    -0.011 C 
ATOM     21  C   LIG    1       -5.618   0.341   2.533  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -6.614  -0.780   2.434  0.00  0.00    +0.004 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 14