REMARK  Name = BDB018899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.584   0.346  -3.229  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -3.067  -0.385  -2.098  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -2.193  -0.045  -1.724  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.934  -0.820  -1.126  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.331  -1.458  -0.059  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -1.984  -2.012  -0.074  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -1.034  -1.233   0.801  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.357  -0.748   2.078  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.411  -0.014   2.803  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        0.867   0.216   2.291  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        1.226  -0.267   1.028  0.00  0.00    +0.001 A 
ATOM     12  O   LIG    1       -2.556  -0.874   2.728  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1       -3.358  -2.004   2.385  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1        0.268  -1.000   0.307  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1       -4.157  -1.758   1.107  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1       -5.147  -0.646  -1.200  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.571  -0.044   0.469  0.00  0.00    +0.079 A 
ATOM     18  C   LIG    1        3.097   1.240   0.174  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        4.418   1.291  -0.328  0.00  0.00    -0.014 A 
ATOM     20  C   LIG    1        5.005   2.531  -0.636  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        4.298   3.721  -0.464  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.994   3.688   0.013  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.128   0.104  -0.520  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        4.514  -1.097  -0.221  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1        2.399   2.464   0.326  0.00  0.00    +0.010 A 
ATOM     26  N   LIG    1        3.261  -1.198   0.259  0.00  0.00    -0.254 NA
ENDBRANCH  11  17
TORSDOF 1