REMARK  Name = BDB012310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.338   1.777  -0.829  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -2.476   1.077  -0.422  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1       -3.618   1.790  -0.677  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1       -3.188   2.932  -1.208  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -1.793   2.982  -1.326  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.549  -0.219   0.190  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1       -1.405  -0.912   0.426  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1       -1.496  -2.122   1.018  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1       -2.693  -2.703   1.378  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -3.863  -1.995   1.110  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -3.801  -0.729   0.526  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -5.152  -2.607   1.499  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -5.280  -3.292   2.498  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -6.149  -2.377   0.620  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -5.884  -1.947  -0.215  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1       -0.116   1.250  -0.701  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        0.991   2.098  -1.002  0.00  0.00    +0.266 C 
BRANCH  17  20
ATOM     18  C   LIG    1        3.622  -0.267   0.478  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        2.405   0.376   0.229  0.00  0.00    +0.052 A 
ATOM     20  C   LIG    1        2.294   1.372  -0.755  0.00  0.00    -0.007 A 
ATOM     21  C   LIG    1        3.441   1.732  -1.476  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        4.657   1.094  -1.232  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        4.749   0.096  -0.259  0.00  0.00    +0.045 A 
BRANCH  18  25
ATOM     24  C   LIG    1        4.788  -1.903   1.750  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        3.575  -1.220   1.459  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7