REMARK  Name = BDB009212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.421  -0.767   0.840  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.618   0.057   1.295  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.664  -0.472   2.066  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.637  -1.836   2.396  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.611  -2.662   1.933  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.414  -2.132   1.149  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.755  -0.677   0.223  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1       -2.884  -1.337   0.983  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -1.496  -0.162   0.003  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -1.190   0.734  -0.774  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -5.135  -0.976   0.041  0.00  0.00    +0.141 A 
ATOM     12  C   LIG    1       -3.965  -0.340  -0.426  0.00  0.00    +0.076 A 
ATOM     13  C   LIG    1       -4.047   0.564  -1.487  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -5.281   0.858  -2.084  0.00  0.00    -0.048 A 
ATOM     15  C   LIG    1       -5.350   1.808  -3.243  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -6.433   0.212  -1.624  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -6.363  -0.697  -0.565  0.00  0.00    +0.048 A 
BRANCH  11  19
ATOM     18  C   LIG    1       -6.121  -2.467   1.622  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -4.954  -1.856   1.085  0.00  0.00    -0.493 OA
ENDBRANCH  11  19
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1        2.778   0.408   2.585  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.343   1.383   1.556  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        4.150   0.865   0.406  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        4.449  -0.602   0.267  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        5.559  -0.898  -0.747  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        5.374  -0.077  -2.017  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        5.384   1.421  -1.707  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        4.591   1.775  -0.479  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        4.299   3.216  -0.275  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1        4.707   4.075  -1.051  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        3.561   3.526   0.835  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1        3.341   4.504   0.987  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1        3.077   2.641   1.746  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5