REMARK  Name = BDB018365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.532  -4.829  -0.953  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.989  -3.537  -0.566  0.00  0.00    -0.317 N 
ATOM      3  C   LIG    1       -3.849  -2.546  -0.111  0.00  0.00    +0.255 A 
ATOM      4  O   LIG    1       -5.066  -2.666   0.003  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.216  -1.257   0.263  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1       -1.890  -1.079   0.141  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -1.036  -2.158  -0.379  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.626  -3.328  -0.694  0.00  0.00    +0.101 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        0.379  -1.988  -0.541  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        1.008  -0.939  -1.173  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        2.349  -1.142  -1.004  0.00  0.00    -0.267 N 
ATOM     12  N   LIG    1        2.636  -2.317  -0.400  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        1.433  -2.816  -0.101  0.00  0.00    +0.143 A 
BRANCH  11  14
ATOM     14  C   LIG    1        3.422  -0.237  -1.401  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.285   1.113  -0.737  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1        3.424   1.238   0.654  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        3.266   2.479   1.273  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.974   3.607   0.510  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        2.843   3.498  -0.873  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.999   2.258  -1.496  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   7   9
BRANCH   6  21
ATOM     21  O   LIG    1       -1.202   0.064   0.487  0.00  0.00    -0.491 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -1.919   1.188   0.995  0.00  0.00    +0.240 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -0.906   2.292   1.257  0.00  0.00    +0.161 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.582   3.515   1.794  0.00  0.00    +0.308 C 
ATOM     25  O   LIG    1       -2.776   3.671   1.988  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -0.709   4.505   2.063  0.00  0.00    -0.481 OA
ATOM     27  H   LIG    1       -1.268   5.235   2.403  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 8