REMARK  Name = BDB029715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.584   1.446  -2.643  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -4.270   0.827  -1.644  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.003   0.375  -1.361  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -2.218   0.635  -1.946  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1       -2.928  -0.208  -0.038  0.00  0.00    +0.129 C 
ATOM      6  C   LIG    1       -2.001   0.540   0.913  0.00  0.00    +0.143 C 
ATOM      7  N   LIG    1       -0.715  -0.141   0.778  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        0.463   0.542   1.043  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.449   1.715   1.412  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -0.866  -1.399   0.057  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1       -2.370  -1.623  -0.048  0.00  0.00    +0.056 C 
ATOM     12  C   LIG    1       -4.391  -0.114   0.385  0.00  0.00    +0.246 C 
ATOM     13  O   LIG    1       -4.866  -0.491   1.444  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.088   0.482  -0.622  0.00  0.00    -0.238 N 
ATOM     15  H   LIG    1       -6.068   0.709  -0.587  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   8  16
ATOM     16  C   LIG    1        1.716  -0.157   0.831  0.00  0.00    +0.082 A 
ATOM     17  C   LIG    1        2.848   0.358   0.225  0.00  0.00    +0.079 A 
ATOM     18  N   LIG    1        3.823  -0.643   0.248  0.00  0.00    -0.239 N 
ATOM     19  C   LIG    1        5.089  -0.456  -0.310  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        5.407   0.715  -0.887  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.415   1.775  -0.910  0.00  0.00    +0.004 A 
ATOM     22  N   LIG    1        3.357  -1.761   0.860  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1        3.189   1.606  -0.378  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        2.118  -1.445   1.236  0.00  0.00    +0.148 A 
ENDBRANCH   8  16
TORSDOF 1