REMARK  Name = BDB001672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.294  -0.175   0.623  0.00  0.00    -0.023 A 
ATOM      2  C   LIG    1       -1.395  -1.121   1.134  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -0.019  -0.973   0.942  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        0.457   0.122   0.226  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -0.418   1.091  -0.259  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.793   0.943  -0.058  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.726  -0.306  -0.027  0.00  0.00    +0.114 C 
ATOM      8  C   LIG    1       -3.731  -0.356   0.881  0.00  0.00    +0.032 C 
BRANCH   7   9
ATOM      9  C   LIG    1       -6.126  -0.548   0.418  0.00  0.00    +0.252 C 
ATOM     10  O   LIG    1       -6.941  -1.156  -0.264  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1       -6.489  -0.013   1.620  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -5.924   0.650   2.131  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -7.465  -0.101   1.878  0.00  0.00    +0.145 HD
ENDBRANCH   7   9
BRANCH   7  15
ATOM     14  N   LIG    1       -4.321   0.088  -2.549  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1       -4.518  -0.116  -1.423  0.00  0.00    +0.104 C 
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  O   LIG    1        1.829   0.360   0.036  0.00  0.00    -0.421 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.634  -0.681  -0.412  0.00  0.00    +0.363 C 
ATOM     18  O   LIG    1        2.265  -1.813  -0.686  0.00  0.00    -0.243 OA
BRANCH  17  19
ATOM     19  C   LIG    1        4.052  -0.197  -0.506  0.00  0.00    +0.148 A 
ATOM     20  N   LIG    1        4.973  -1.151  -0.809  0.00  0.00    -0.248 NA
ATOM     21  C   LIG    1        6.262  -0.764  -0.909  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        6.690   0.538  -0.722  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.740   1.505  -0.413  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.400   1.138  -0.303  0.00  0.00    +0.035 A 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6