REMARK  Name = BDB027884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.411  -0.591  -0.269  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        0.784   0.081   0.047  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.012  -0.589   0.207  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        2.023  -1.981   0.065  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        0.847  -2.673  -0.216  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.359  -1.982  -0.369  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.243   0.152   0.524  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        4.016  -0.176   1.650  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        5.185   0.528   1.952  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.602   1.571   1.130  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        4.852   1.912   0.008  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.682   1.208  -0.292  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  N   LIG    1       -1.585   0.168  -0.340  0.00  0.00    -0.333 N 
ATOM     14  H   LIG    1       -1.377   1.089  -0.721  0.00  0.00    +0.147 HD
BRANCH  13  21
ATOM     15  O   LIG    1       -5.605   1.085   1.860  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.717   0.700   1.105  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.166  -0.546   1.242  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.622  -1.124   1.933  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.553  -1.244   0.229  0.00  0.00    +0.239 C 
ATOM     20  O   LIG    1       -3.620  -2.472   0.187  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.846  -0.402  -0.844  0.00  0.00    +0.158 C 
ATOM     22  C   LIG    1       -3.798   0.734  -1.229  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.181   1.565  -0.010  0.00  0.00    +0.098 C 
ENDBRANCH  13  21
ENDBRANCH   1  13
TORSDOF 3