REMARK  Name = BDB065382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.355   0.644  -1.008  0.00  0.00    -0.251 N 
ATOM      2  N   LIG    1       -2.894   1.672  -0.337  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1       -4.212   1.541  -0.401  0.00  0.00    -0.133 NA
ATOM      4  C   LIG    1       -4.498   0.409  -1.123  0.00  0.00    +0.103 A 
ATOM      5  C   LIG    1       -3.314  -0.176  -1.522  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.917   0.520  -1.121  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -0.299  -0.099   0.132  0.00  0.00    +0.024 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.208  -0.338   0.007  0.00  0.00    +0.006 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.020   0.958  -0.076  0.00  0.00    +0.035 C 
BRANCH   9  13
ATOM     10  C   LIG    1        6.261   0.115  -0.135  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1        5.603   0.343   1.080  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        4.232   0.620   1.096  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        3.503   0.677  -0.098  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1        4.163   0.444  -1.312  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.532   0.166  -1.330  0.00  0.00    +0.015 A 
BRANCH  10  16
ATOM     16  C   LIG    1        7.717  -0.186  -0.212  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1        8.305  -0.403  -1.260  0.00  0.00    -0.245 OA
BRANCH  16  19
ATOM     18  C   LIG    1        9.675  -0.461   1.029  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1        8.275  -0.182   1.025  0.00  0.00    -0.464 OA
ENDBRANCH  16  19
ENDBRANCH  10  16
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   4  20
ATOM     20  C   LIG    1       -5.903  -0.017  -1.375  0.00  0.00    +0.185 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -6.582  -0.331  -0.117  0.00  0.00    -0.295 N 
ATOM     22  C   LIG    1       -7.540   0.558   0.356  0.00  0.00    +0.330 A 
ATOM     23  O   LIG    1       -7.915   1.563  -0.242  0.00  0.00    -0.246 OA
ATOM     24  N   LIG    1       -8.099   0.234   1.567  0.00  0.00    -0.275 N 
ATOM     25  H   LIG    1       -8.799   0.866   1.921  0.00  0.00    +0.173 HD
ATOM     26  C   LIG    1       -7.831  -0.882   2.303  0.00  0.00    +0.254 A 
ATOM     27  O   LIG    1       -8.397  -1.143   3.358  0.00  0.00    -0.268 OA
ATOM     28  C   LIG    1       -6.811  -1.785   1.748  0.00  0.00    +0.088 A 
ATOM     29  C   LIG    1       -6.241  -1.473   0.583  0.00  0.00    +0.096 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 9