REMARK  Name = BDB008946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.969  -1.177   1.378  0.00  0.00    +0.071 A 
ATOM      2  C   LIG    1       -1.656   0.064   0.901  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -0.904   1.358   0.751  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -1.676   2.425  -0.031  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -3.138   2.472   0.394  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.815   1.118   0.174  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.967  -0.041   0.621  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -3.655  -1.349   0.756  0.00  0.00    +0.268 A 
ATOM      9  O   LIG    1       -4.845  -1.486   0.492  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -2.881  -2.391   1.191  0.00  0.00    -0.243 N 
ATOM     11  H   LIG    1       -3.335  -3.292   1.294  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1       -1.561  -2.329   1.508  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        0.506  -1.129   1.746  0.00  0.00    +0.112 C 
BRANCH  13  16
ATOM     14  C   LIG    1        2.899  -0.706  -1.032  0.00  0.00    +0.148 A 
ATOM     15  N   LIG    1        2.099  -0.431   0.034  0.00  0.00    -0.245 NA
ATOM     16  C   LIG    1        1.391  -1.454   0.570  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        1.462  -2.752   0.068  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.288  -3.013  -1.022  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        3.022  -1.975  -1.585  0.00  0.00    +0.035 A 
BRANCH  14  20
ATOM     20  C   LIG    1        3.678   0.418  -1.637  0.00  0.00    +0.357 C 
ATOM     21  O   LIG    1        4.446   0.281  -2.579  0.00  0.00    -0.243 OA
BRANCH  20  23
ATOM     22  C   LIG    1        4.113   2.712  -1.522  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1        3.405   1.588  -1.002  0.00  0.00    -0.463 OA
ENDBRANCH  20  23
ENDBRANCH  14  20
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 4