REMARK  Name = BDB018905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.388   2.733  -0.090  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        4.260   1.834  -0.132  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        3.375   2.251   0.114  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        4.405   0.555   0.351  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        3.251  -0.222   0.281  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1        2.262   0.005  -0.772  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1        0.990  -0.788  -0.631  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        0.952  -2.186  -0.675  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.281  -2.849  -0.630  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.476  -2.139  -0.506  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -1.463  -0.745  -0.435  0.00  0.00    -0.017 A 
ATOM     12  O   LIG    1        2.017  -3.035  -0.763  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1        3.319  -2.620  -0.335  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1       -0.226  -0.084  -0.499  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        3.344  -1.593   0.798  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1        5.471   0.147   0.803  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.712   0.015  -0.296  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1       -3.516   0.354  -1.406  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1       -3.138  -0.050  -2.806  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -4.707   1.070  -1.200  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.096   1.460   0.082  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -4.301   1.151   1.186  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1       -4.733   1.537   2.570  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -3.123   0.420   0.989  0.00  0.00    +0.012 A 
ENDBRANCH  11  17
TORSDOF 1