REMARK  Name = BDB042673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.654  -0.313  -0.049  0.00  0.00    -0.041 C 
ATOM      2  C   LIG    1        2.459   0.421  -0.597  0.00  0.00    +0.054 C 
ATOM      3  C   LIG    1        1.246  -0.498  -0.756  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1        1.060  -1.366   0.409  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -0.183  -1.769   0.890  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.305  -2.711   1.674  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        2.199  -2.199   0.784  0.00  0.00    +0.135 C 
ATOM      8  C   LIG    1        3.510  -1.507   0.554  0.00  0.00    -0.004 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.529   1.468  -0.485  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        7.054   1.117   0.782  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        5.790   0.534   0.919  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.986   0.295  -0.204  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1        5.470   0.650  -1.470  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        6.735   1.233  -1.611  0.00  0.00    +0.019 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.873   2.550  -0.748  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.825   2.066  -0.629  0.00  0.00    +0.099 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.394  -0.983   0.414  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.680  -1.458   1.098  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.955  -0.739   0.708  0.00  0.00    +0.022 A 
ATOM     20  N   LIG    1       -5.098  -1.186   1.342  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -5.036  -1.945   2.013  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -6.367  -0.684   1.146  0.00  0.00    +0.258 A 
ATOM     23  O   LIG    1       -7.343  -1.126   1.741  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -6.490   0.419   0.176  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1       -5.345   0.874  -0.465  0.00  0.00    +0.078 A 
ATOM     26  N   LIG    1       -5.351   1.881  -1.373  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1       -6.551   2.447  -1.640  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -7.744   2.056  -1.046  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -7.713   1.019  -0.117  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1       -4.048   0.266  -0.179  0.00  0.00    +0.049 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5