REMARK  Name = BDB046764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.283  -1.025   0.432  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -0.515   0.151   0.278  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -1.089   1.397   0.548  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -2.427   1.487   0.958  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -3.185   0.320   1.101  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.615  -0.930   0.838  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        0.821  -0.019  -0.147  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1        1.087  -0.987  -0.292  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.765   0.943  -0.400  0.00  0.00    +0.221 C 
ATOM     10  O   LIG    1        1.647   2.156  -0.329  0.00  0.00    -0.275 OA
BRANCH   9  11
ATOM     11  C   LIG    1        3.066   0.368  -0.829  0.00  0.00    +0.090 C 
ATOM     12  C   LIG    1        4.337   0.861  -0.161  0.00  0.00    +0.110 C 
ATOM     13  C   LIG    1        3.854  -0.548   0.076  0.00  0.00    +0.029 C 
BRANCH  12  14
ATOM     14  C   LIG    1        5.531   1.119  -0.984  0.00  0.00    +0.309 C 
ATOM     15  O   LIG    1        5.817   0.510  -2.001  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        6.312   2.097  -0.493  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        7.046   2.162  -1.139  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   9  11
ENDBRANCH   2   7
BRANCH   4  18
ATOM     18  C   LIG    1       -3.003   2.837   1.239  0.00  0.00    +0.160 C 
ATOM     19  O   LIG    1       -2.269   3.820   1.307  0.00  0.00    -0.292 OA
ATOM     20  C   LIG    1       -4.490   2.966   1.447  0.00  0.00    +0.091 C 
ENDBRANCH   4  18
BRANCH   1  21
ATOM     21  O   LIG    1       -0.622  -2.195   0.144  0.00  0.00    -0.490 OA
BRANCH  21  23
ATOM     22  C   LIG    1       -2.060  -3.905  -0.798  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -1.265  -3.442   0.410  0.00  0.00    +0.226 C 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7