REMARK  Name = BDB012281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.349   0.739   1.647  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1        0.935   0.204   1.536  0.00  0.00    -0.214 N 
ATOM      3  N   LIG    1        1.678   0.474   2.656  0.00  0.00    -0.173 NA
ATOM      4  C   LIG    1        0.865   1.174   3.444  0.00  0.00    +0.135 A 
ATOM      5  C   LIG    1       -0.396   1.371   2.876  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -4.639   0.422  -2.199  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -3.504   0.488  -1.221  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -3.322  -0.528  -0.276  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.283  -0.452   0.655  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.414   0.644   0.656  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.607   1.672  -0.273  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -2.647   1.595  -1.203  0.00  0.00    +0.004 A 
ENDBRANCH   1  10
BRANCH   2  13
ATOM     13  C   LIG    1        1.512  -0.539   0.450  0.00  0.00    +0.155 A 
ATOM     14  N   LIG    1        0.764  -0.788  -0.656  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        1.324  -1.486  -1.665  0.00  0.00    +0.114 A 
ATOM     16  C   LIG    1        2.619  -1.961  -1.635  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        3.381  -1.702  -0.499  0.00  0.00    +0.064 A 
ATOM     18  C   LIG    1        2.828  -0.981   0.562  0.00  0.00    +0.063 A 
BRANCH  17  19
ATOM     19  C   LIG    1        4.771  -2.210  -0.464  0.00  0.00    +0.337 C 
ATOM     20  O   LIG    1        5.316  -2.843  -1.350  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        5.412  -1.904   0.676  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        6.304  -2.294   0.565  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   2  13
TORSDOF 4