REMARK  Name = BDB051670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.617  -2.797  -0.453  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.610  -2.107  -0.533  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.468  -0.824   0.214  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.375   0.034  -0.024  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -2.278   1.248   0.692  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -1.103   2.178   0.485  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.388   1.899  -0.838  0.00  0.00    +0.116 C 
ATOM      8  N   LIG    1       -0.134   0.465  -0.969  0.00  0.00    -0.258 N 
ATOM      9  C   LIG    1        1.096  -0.091  -0.642  0.00  0.00    +0.409 C 
ATOM     10  O   LIG    1        1.323  -1.295  -0.635  0.00  0.00    -0.226 OA
ATOM     11  C   LIG    1       -3.252   1.566   1.648  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.330   0.709   1.876  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.360  -0.335  -1.104  0.00  0.00    +0.127 C 
ATOM     14  C   LIG    1       -1.243  -1.871  -1.172  0.00  0.00    +0.132 C 
ATOM     15  C   LIG    1       -4.441  -0.482   1.160  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -2.550  -2.485  -1.324  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -2.619  -3.428  -1.687  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  O   LIG    1        2.047   0.878  -0.330  0.00  0.00    -0.411 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.300   0.388   0.051  0.00  0.00    +0.133 A 
ATOM     20  C   LIG    1        4.372   0.576  -0.818  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        5.641   0.144  -0.436  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        5.829  -0.456   0.812  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.749  -0.622   1.683  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        3.477  -0.191   1.307  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 2