REMARK  Name = BDB020217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.849   2.275   1.487  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.427   1.098   0.743  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1       -2.410   0.228   0.182  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -1.989  -0.907  -0.526  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1       -2.930  -1.780  -1.090  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -4.294  -1.528  -0.954  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.721  -0.404  -0.254  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.565  -1.186  -0.670  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        0.359  -0.364  -0.149  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -3.786   0.468   0.311  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -0.064   0.861   0.605  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1        0.804   1.610   1.054  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        1.842  -0.644  -0.260  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1        2.478  -0.726   1.130  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1        1.951  -1.312   2.075  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1        3.742  -0.204   1.257  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        4.151  -0.276   2.178  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        4.614   0.108   0.245  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        5.805   0.304   0.470  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        4.055   0.085  -1.157  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1        2.562   0.368  -1.157  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
TORSDOF 1