REMARK  Name = BDB064926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.923  -0.926  -1.273  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        0.169  -0.283  -0.660  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.418  -0.912  -0.540  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        1.573  -2.202  -1.042  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.497  -2.859  -1.644  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.742  -2.229  -1.756  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.450  -0.177   0.081  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        2.196   0.747   0.403  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        3.730  -0.612   0.376  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        4.181  -1.740   0.216  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1        4.612   0.420   0.992  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        5.531   0.017   1.969  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        6.371   0.956   2.569  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.305   2.296   2.187  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        5.406   2.699   1.200  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.561   1.764   0.597  0.00  0.00    +0.013 A 
ENDBRANCH   9  11
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  C   LIG    1       -2.873  -0.276  -2.768  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -2.260  -0.203  -1.366  0.00  0.00    +0.081 C 
BRANCH  18  19
ATOM     19  S   LIG    1       -3.423  -0.883  -0.119  0.00  0.00    -0.078 S 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.513   0.439   0.091  0.00  0.00    +0.192 A 
ATOM     21  N   LIG    1       -5.621   0.379   0.886  0.00  0.00    -0.312 N 
ATOM     22  C   LIG    1       -6.098  -0.727   1.670  0.00  0.00    +0.152 C 
ATOM     23  C   LIG    1       -6.206   1.606   0.792  0.00  0.00    +0.225 A 
ATOM     24  N   LIG    1       -5.500   2.372  -0.008  0.00  0.00    -0.137 NA
ATOM     25  N   LIG    1       -4.426   1.632  -0.450  0.00  0.00    -0.123 NA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5