REMARK  Name = BDB045461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.306   1.370  -0.150  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        1.635   1.199  -0.408  0.00  0.00    -0.282 N 
ATOM      3  H   LIG    1        2.178   1.949   0.003  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.068   2.286   0.581  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.359   0.173  -1.044  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        3.693   0.454  -1.373  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        4.493  -0.510  -2.005  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        3.967  -1.777  -2.272  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.652  -2.071  -1.922  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        1.853  -1.100  -1.310  0.00  0.00    +0.023 A 
BRANCH   7  11
ATOM     11  C   LIG    1        5.906  -0.242  -2.383  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1        6.705  -1.150  -2.570  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        6.280   1.062  -2.558  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        7.208   1.200  -2.938  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        5.610   1.802  -2.703  0.00  0.00    +0.145 HD
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  17
ATOM     16  C   LIG    1       -1.687  -0.073  -0.253  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1       -0.690   0.562  -0.881  0.00  0.00    +0.072 C 
BRANCH  16  19
ATOM     18  N   LIG    1       -2.848   0.384   1.846  0.00  0.00    -0.299 N 
ATOM     19  C   LIG    1       -1.736  -0.160   1.224  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -0.828  -0.747   1.808  0.00  0.00    -0.271 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -5.108   0.277   0.822  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -3.902   1.137   1.159  0.00  0.00    +0.104 C 
ENDBRANCH  18  22
BRANCH  18  23
ATOM     23  C   LIG    1       -2.961   0.220   3.294  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1       -3.453  -1.164   3.692  0.00  0.00    +0.024 C 
ENDBRANCH  18  23
ENDBRANCH  16  19
ENDBRANCH   1  17
TORSDOF 6