REMARK  Name = BDB002238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.974  -2.768  -1.078  0.00  0.00    +0.038 C 
ATOM      2  C   LIG    1       -0.100  -1.770  -0.898  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -0.361  -0.463  -0.303  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -1.563   0.057  -0.001  0.00  0.00    +0.015 C 
ATOM      5  C   LIG    1        0.986   0.196  -0.112  0.00  0.00    +0.279 A 
ATOM      6  O   LIG    1        1.180   1.281   0.409  0.00  0.00    -0.265 OA
ATOM      7  N   LIG    1        1.911  -0.707  -0.661  0.00  0.00    -0.219 N 
ATOM      8  N   LIG    1        1.253  -1.847  -1.179  0.00  0.00    -0.290 N 
ATOM      9  H   LIG    1        1.652  -2.724  -0.846  0.00  0.00    +0.187 HD
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        3.312  -0.571  -0.810  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1        4.011   0.490  -0.219  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        5.403   0.610  -0.368  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1        6.107  -0.335  -1.120  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        5.428  -1.391  -1.719  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        4.043  -1.506  -1.565  0.00  0.00    +0.028 A 
BRANCH  12  16
ATOM     16  C   LIG    1        6.171   1.718   0.251  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1        7.372   1.893   0.148  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        5.403   2.550   0.972  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        6.027   3.224   1.312  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   7  10
BRANCH   4  20
ATOM     20  C   LIG    1       -1.845   1.354   0.585  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -3.065   1.845   0.864  0.00  0.00    +0.008 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.339   1.167   0.618  0.00  0.00    -0.025 A 
ATOM     23  C   LIG    1       -4.917   1.185  -0.657  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -6.128   0.529  -0.887  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.765  -0.145   0.154  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.194  -0.165   1.426  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.982   0.490   1.658  0.00  0.00    +0.008 A 
ENDBRANCH  21  22
ENDBRANCH   4  20
TORSDOF 5