REMARK  Name = BDB012207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.899   0.032  -3.342  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.784  -0.302  -2.164  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.399  -0.056  -1.524  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        1.093   0.340  -2.148  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.822  -0.552  -0.220  0.00  0.00    +0.075 C 
ATOM      6  C   LIG    1        1.978   0.267   0.345  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        3.247  -0.340  -0.267  0.00  0.00    +0.121 C 
ATOM      8  C   LIG    1        2.844  -1.720  -0.800  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1        1.418  -1.953  -0.310  0.00  0.00    +0.025 C 
BRANCH   7  10
ATOM     10  O   LIG    1        4.264  -0.506   0.721  0.00  0.00    -0.372 OA
BRANCH  10  11
ATOM     11  C   LIG    1        4.945   0.706   1.057  0.00  0.00    +0.195 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.975   1.081   0.020  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1        6.084   2.405  -0.428  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        7.048   2.754  -1.375  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.917   1.787  -1.878  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.824   0.470  -1.433  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.861   0.119  -0.486  0.00  0.00    +0.006 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -1.890  -0.977  -1.375  0.00  0.00    +0.096 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.171  -1.131  -2.198  0.00  0.00    +0.017 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.257  -1.909  -1.459  0.00  0.00    +0.075 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.895  -1.178  -0.296  0.00  0.00    +0.110 A 
ATOM     22  N   LIG    1       -5.733  -1.948   0.471  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -5.890  -2.922   0.253  0.00  0.00    +0.170 HD
ATOM     24  C   LIG    1       -6.409  -1.470   1.564  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1       -7.144  -2.182   2.237  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -6.189  -0.048   1.874  0.00  0.00    +0.065 A 
ATOM     27  C   LIG    1       -5.326   0.665   1.036  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1       -5.101   2.016   1.306  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -5.726   2.639   2.391  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -6.585   1.913   3.218  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.820   0.563   2.962  0.00  0.00    +0.015 A 
ATOM     32  N   LIG    1       -4.678   0.074  -0.062  0.00  0.00    -0.234 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8