REMARK  Name = BDB018249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.280  -1.029  -1.358  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        0.520  -1.548  -0.214  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.664  -2.859   0.069  0.00  0.00    +0.101 A 
ATOM      4  N   LIG    1        1.466  -3.705  -0.680  0.00  0.00    -0.317 N 
ATOM      5  C   LIG    1        1.534  -5.109  -0.306  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        2.159  -3.271  -1.805  0.00  0.00    +0.255 A 
ATOM      7  O   LIG    1        2.859  -3.980  -2.521  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.022  -1.832  -2.130  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.323  -0.715   0.592  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -1.252   0.197   0.146  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1       -1.817   0.751   1.264  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1       -1.293   0.265   2.413  0.00  0.00    -0.178 NA
ATOM     13  C   LIG    1       -0.403  -0.640   1.998  0.00  0.00    +0.143 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -2.843   1.801   1.319  0.00  0.00    +0.134 C 
ATOM     15  C   LIG    1       -2.253   3.147   0.887  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     16  C   LIG    1       -4.103   1.360   0.586  0.00  0.00    -0.023 A 
ATOM     17  C   LIG    1       -4.944   0.410   1.196  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1       -6.105  -0.035   0.562  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -6.444   0.458  -0.694  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.622   1.393  -1.317  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.459   1.841  -0.684  0.00  0.00    +0.006 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   2   9
BRANCH   1  22
ATOM     22  O   LIG    1        1.123   0.305  -1.674  0.00  0.00    -0.485 OA
BRANCH  22  27
ATOM     23  C   LIG    1        5.498   1.131   1.521  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        5.273   1.423   0.062  0.00  0.00    +0.213 C 
ATOM     25  N   LIG    1        3.962   1.487  -0.325  0.00  0.00    -0.295 N 
ATOM     26  C   LIG    1        2.773   0.902   0.280  0.00  0.00    +0.154 C 
ATOM     27  C   LIG    1        2.054   1.224  -1.050  0.00  0.00    +0.208 C 
ATOM     28  C   LIG    1        3.450   1.379  -1.685  0.00  0.00    +0.154 C 
ATOM     29  O   LIG    1        6.207   1.580  -0.721  0.00  0.00    -0.276 OA
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 5