REMARK  Name = BDB059951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.849   0.062  -0.461  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1        0.798   0.578   0.285  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -0.626   0.292  -0.047  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -1.316   1.631  -0.322  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1       -1.194   2.615   0.694  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.861   3.833   0.560  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1       -2.576   4.123  -0.597  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.642   3.186  -1.626  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.287   2.269   1.852  0.00  0.00    +0.058 C 
ATOM     10  C   LIG    1       -2.016   1.946  -1.491  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        1.001   1.615   1.316  0.00  0.00    +0.113 C 
ATOM     12  O   LIG    1        1.677  -0.686  -1.426  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.715  -0.435   1.249  0.00  0.00    +0.087 C 
ATOM     14  C   LIG    1        3.288   0.363  -0.009  0.00  0.00    +0.087 C 
ATOM     15  C   LIG    1        4.266   0.126  -1.176  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1        5.701   0.507  -0.817  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1        6.092   0.122   0.609  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1        5.168  -0.939   1.191  0.00  0.00    +0.013 C 
BRANCH  13  22
ATOM     19  N   LIG    1        2.657  -2.599   0.727  0.00  0.00    -0.329 N 
ATOM     20  H   LIG    1        1.952  -3.287   0.966  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        2.760  -2.417  -0.266  0.00  0.00    +0.145 HD
ATOM     22  C   LIG    1        2.790  -1.586   1.628  0.00  0.00    +0.214 C 
ATOM     23  O   LIG    1        2.205  -1.624   2.706  0.00  0.00    -0.276 OA
ENDBRANCH  13  22
ENDBRANCH   1  14
BRANCH   6  24
ATOM     24  O   LIG    1       -1.847   4.798   1.524  0.00  0.00    -0.506 OA
ATOM     25  H   LIG    1       -1.679   4.376   2.381  0.00  0.00    +0.292 HD
ENDBRANCH   6  24
BRANCH   3  26
ATOM     26  C   LIG    1       -0.938  -0.878  -1.026  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.330  -1.325  -0.992  0.00  0.00    -0.232 N 
ATOM     28  C   LIG    1       -2.914  -1.912   0.098  0.00  0.00    +0.254 C 
ATOM     29  O   LIG    1       -2.444  -2.127   1.199  0.00  0.00    -0.270 OA
ATOM     30  C   LIG    1       -4.270  -2.283  -0.299  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -4.421  -1.940  -1.629  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -5.598  -2.171  -2.315  0.00  0.00    +0.014 A 
ATOM     33  C   LIG    1       -6.644  -2.768  -1.604  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -6.489  -3.118  -0.246  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -5.286  -2.877   0.424  0.00  0.00    +0.014 A 
ATOM     36  C   LIG    1       -3.162  -1.351  -2.079  0.00  0.00    +0.254 C 
ATOM     37  O   LIG    1       -2.955  -0.985  -3.220  0.00  0.00    -0.270 OA
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 5