REMARK  Name = BDB063200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.977  -0.263  -1.931  0.00  0.00    -0.308 N 
ATOM      2  H   LIG    1       -0.481   0.224  -1.191  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.252  -0.564  -3.064  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1       -0.608  -1.409  -3.882  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.130  -1.064  -1.522  0.00  0.00    +0.114 C 
BRANCH   5  10
ATOM      6  C   LIG    1       -3.234   0.034   4.112  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -2.928  -0.233   2.669  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -2.475  -1.492   2.261  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.221  -1.752   0.913  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -2.429  -0.763  -0.059  0.00  0.00    -0.027 A 
ATOM     11  C   LIG    1       -2.890   0.497   0.354  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -3.145   0.755   1.703  0.00  0.00    +0.004 A 
ENDBRANCH   5  10
BRANCH   5  13
ATOM     13  C   LIG    1       -3.339  -0.828  -2.437  0.00  0.00    +0.147 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.522  -1.663  -2.047  0.00  0.00    +0.307 C 
ATOM     15  O   LIG    1       -5.670  -1.262  -1.933  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.243  -2.969  -1.890  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1       -5.112  -3.372  -1.682  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   5  13
ENDBRANCH   1   5
BRANCH   3  18
ATOM     18  C   LIG    1        0.994   0.282  -3.272  0.00  0.00    +0.130 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.903   0.336  -2.067  0.00  0.00    -0.038 A 
ATOM     20  C   LIG    1        2.067   1.528  -1.349  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.888   1.580  -0.211  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1        3.002   2.878   0.551  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1        4.186   2.910   1.515  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        4.237   1.630   2.338  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        4.449   0.420   1.430  0.00  0.00    +0.035 C 
ATOM     26  C   LIG    1        3.539   0.413   0.226  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1        3.387  -0.774  -0.505  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        2.576  -0.813  -1.639  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7