REMARK  Name = BDB048899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.062  -0.481  -0.810  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -0.556   0.859  -1.205  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        0.540   0.746  -2.288  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        1.736  -0.025  -1.882  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        1.395  -1.020  -0.832  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.048  -1.558  -0.944  0.00  0.00    +0.122 C 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -5.613   0.730   1.185  0.00  0.00    +0.164 A 
ATOM      8  C   LIG    1       -5.186   0.594  -0.145  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -3.867   0.219  -0.398  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1       -2.958  -0.022   0.663  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -3.397   0.096   1.986  0.00  0.00    +0.080 A 
ATOM     12  N   LIG    1       -2.601  -0.142   3.033  0.00  0.00    -0.235 NA
ATOM     13  C   LIG    1       -1.345  -0.513   2.761  0.00  0.00    +0.223 A 
ATOM     14  N   LIG    1       -0.805  -0.650   1.547  0.00  0.00    -0.220 NA
ATOM     15  C   LIG    1       -1.610  -0.399   0.498  0.00  0.00    +0.132 A 
ATOM     16  C   LIG    1       -4.712   0.474   2.226  0.00  0.00    +0.078 A 
BRANCH   7  18
ATOM     17  C   LIG    1       -7.393   1.239   2.698  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -6.920   1.108   1.365  0.00  0.00    -0.491 OA
ENDBRANCH   7  18
BRANCH   8  19
ATOM     19  O   LIG    1       -6.122   0.852  -1.115  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1       -5.749   0.627  -2.467  0.00  0.00    +0.277 C 
ENDBRANCH   8  19
ENDBRANCH   1  15
BRANCH   4  21
ATOM     21  C   LIG    1        2.829   0.861  -1.444  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.146   0.131  -1.230  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        4.758  -0.036   0.048  0.00  0.00    -0.013 A 
ATOM     24  C   LIG    1        5.999  -0.724   0.118  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        6.638  -0.907   1.356  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        6.075  -0.426   2.535  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.861   0.242   2.491  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.594  -1.228  -1.047  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        5.984  -1.071  -2.287  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.213   0.434   1.268  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1        4.772  -0.398  -2.377  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 5