REMARK  Name = BDB063564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.213   2.823   2.216  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -0.766   1.743   1.285  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1       -1.661   0.727   0.698  0.00  0.00    +0.062 C 
ATOM      4  C   LIG    1       -2.974   0.666   0.955  0.00  0.00    +0.030 C 
ATOM      5  C   LIG    1       -0.759  -0.113  -0.133  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1       -1.074  -1.090  -0.784  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        0.495   0.500   0.050  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        0.472   1.602   0.902  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        1.739   0.119  -0.516  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        1.856  -0.975  -1.385  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        3.095  -1.333  -1.933  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        4.240  -0.606  -1.606  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        4.144   0.500  -0.759  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.902   0.852  -0.218  0.00  0.00    +0.026 A 
BRANCH  12  15
ATOM     15  C   LIG    1        5.534  -1.011  -2.201  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        5.652  -1.377  -3.357  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        6.553  -0.973  -1.317  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        6.280  -0.830  -0.391  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.879  -0.288   0.408  0.00  0.00    +0.013 A 
ATOM     20  S   LIG    1       -5.115  -0.925   1.434  0.00  0.00    -0.097 S 
ATOM     21  C   LIG    1       -5.761  -1.895   0.187  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -5.082  -1.732  -0.996  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -4.011  -0.799  -0.871  0.00  0.00    +0.015 A 
ENDBRANCH   4  19
TORSDOF 4