REMARK  Name = BDB055837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.622   1.297   0.881  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.662   0.762   1.025  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.941  -0.571   0.683  0.00  0.00    -0.011 A 
ATOM      4  C   LIG    1       -0.101  -1.369   0.189  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -1.390  -0.843   0.039  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -1.646   0.491   0.386  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.456  -1.667  -0.488  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.921  -2.825   0.094  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -2.579  -3.591   1.308  0.00  0.00    +0.090 C 
ATOM     10  O   LIG    1       -3.933  -3.330  -0.663  0.00  0.00    -0.359 OA
ATOM     11  N   LIG    1       -4.157  -2.506  -1.750  0.00  0.00    -0.083 NA
ATOM     12  C   LIG    1       -3.269  -1.510  -1.642  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1       -3.228  -0.438  -2.663  0.00  0.00    +0.070 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  O   LIG    1       -0.738   2.605   1.260  0.00  0.00    -0.492 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -1.901   4.662   1.564  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -2.017   3.219   1.107  0.00  0.00    +0.225 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  C   LIG    1        2.340  -1.140   0.844  0.00  0.00    +0.175 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.362  -0.505  -0.083  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        4.350   0.373   0.390  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        5.270   0.952  -0.486  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.216   0.665  -1.847  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.242  -0.203  -2.335  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.321  -0.784  -1.461  0.00  0.00    +0.006 A 
ENDBRANCH  17  18
BRANCH  17  24
ATOM     24  O   LIG    1        2.741  -1.041   2.212  0.00  0.00    -0.383 OA
ATOM     25  H   LIG    1        1.933  -0.980   2.747  0.00  0.00    +0.211 HD
ENDBRANCH  17  24
ENDBRANCH   3  17
TORSDOF 6