REMARK  Name = BDB012312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.443  -0.770  -0.413  0.00  0.00    +0.155 A 
ATOM      2  N   LIG    1       -2.418  -0.818  -1.366  0.00  0.00    -0.236 NA
ATOM      3  C   LIG    1       -3.600  -0.217  -1.124  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1       -3.899   0.419   0.061  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -2.919   0.413   1.050  0.00  0.00    +0.064 A 
ATOM      6  C   LIG    1       -1.672  -0.174   0.818  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.080  -1.238  -0.131  0.00  0.00    +0.047 A 
ATOM      8  N   LIG    1       -0.186  -1.409  -0.703  0.00  0.00    -0.219 N 
ATOM      9  N   LIG    1       -0.148  -2.375  -1.668  0.00  0.00    -0.173 NA
ATOM     10  C   LIG    1        1.055  -2.928  -1.559  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1        1.851  -2.284  -0.608  0.00  0.00    +0.045 A 
BRANCH   7  12
ATOM     12  C   LIG    1        1.484  -0.107   0.768  0.00  0.00    +0.055 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.927   0.375   0.566  0.00  0.00    +0.006 C 
BRANCH  13  15
ATOM     14  C   LIG    1        2.393   2.201  -1.143  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        3.232   0.976  -0.811  0.00  0.00    -0.003 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   5  16
ATOM     16  C   LIG    1       -3.148   1.053   2.362  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1       -2.284   1.687   2.942  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -4.378   0.824   2.863  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -4.904   0.152   2.390  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   5  16
TORSDOF 6