REMARK  Name = BDB059446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.109   1.475  -0.616  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.039   0.462  -0.377  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -2.367   0.768  -0.028  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.777   2.109   0.086  0.00  0.00    +0.072 A 
ATOM      5  N   LIG    1       -4.033   2.450   0.424  0.00  0.00    -0.251 NA
ATOM      6  C   LIG    1       -4.948   1.469   0.664  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -4.630   0.117   0.547  0.00  0.00    +0.081 A 
ATOM      8  C   LIG    1       -6.305   1.960   1.075  0.00  0.00    +0.066 C 
ATOM      9  C   LIG    1       -1.838   3.101  -0.159  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -3.317  -0.230   0.214  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -0.515   2.801  -0.507  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -5.579  -0.988   0.792  0.00  0.00    +0.341 C 
ATOM     13  O   LIG    1       -5.262  -2.028   1.347  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -6.784  -0.702   0.244  0.00  0.00    -0.461 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -7.782  -1.726   0.364  0.00  0.00    +0.229 C 
ATOM     16  C   LIG    1       -7.672  -2.701  -0.794  0.00  0.00    +0.048 C 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   7  12
BRANCH   1  17
ATOM     17  O   LIG    1        1.142   1.037  -0.946  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.144   2.029  -1.165  0.00  0.00    +0.229 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.464   1.334  -1.495  0.00  0.00    +0.041 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.971   0.469  -0.337  0.00  0.00    +0.005 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.317  -0.177  -0.672  0.00  0.00    +0.015 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.812  -1.055   0.479  0.00  0.00    +0.082 C 
BRANCH  22  23
ATOM     23  N   LIG    1        7.098  -1.651   0.123  0.00  0.00    -0.306 NA
ATOM     24  H   LIG    1        7.780  -0.918  -0.064  0.00  0.00    +0.123 HD
BRANCH  23  25
ATOM     25  C   LIG    1        7.602  -2.497   1.201  0.00  0.00    +0.170 C 
BRANCH  25  27
ATOM     26  C   LIG    1        9.991  -3.477   0.522  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        8.916  -3.036   0.827  0.00  0.00    -0.090 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12