REMARK  Name = BDB009244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.092   1.806   1.374  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.950   2.021   0.285  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.290   2.384   0.484  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.750   2.564   1.796  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.895   2.372   2.884  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.568   1.995   2.676  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.963   0.690   2.079  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        1.434   0.323   2.857  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.315   1.405   1.092  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        1.828   1.675   0.011  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.310   0.188   1.878  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.333  -1.079   1.019  0.00  0.00    +0.054 C 
BRANCH  12  15
ATOM     13  C   LIG    1        6.866  -1.486  -0.355  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        5.558  -1.033  -0.174  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1        4.737  -1.594   0.821  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1        5.246  -2.611   1.637  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        6.551  -3.067   1.457  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        7.354  -2.506   0.465  0.00  0.00    +0.045 A 
BRANCH  13  20
ATOM     19  C   LIG    1        7.308   0.021  -2.139  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        7.757  -1.023  -1.284  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -3.201   2.624  -0.698  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.491   1.807  -0.648  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.505   0.413  -1.192  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -3.262  -0.207  -1.765  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -3.381  -1.718  -1.991  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.731  -2.082  -2.597  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.877  -1.629  -1.690  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.679  -0.242  -1.144  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -6.870   0.406  -0.539  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -7.949  -0.170  -0.459  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.687   1.681  -0.079  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -7.491   2.144   0.333  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -5.529   2.391  -0.126  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7