REMARK  Name = BDB063869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.831   2.308  -3.179  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.567   1.433  -2.379  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.469   0.727  -1.429  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.771   1.026  -1.336  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.743  -0.203  -0.717  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.471  -0.085  -1.165  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.632   0.852  -2.126  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.472   1.078  -2.625  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.751   0.409  -0.428  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.785   1.216   0.076  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.751   0.637   0.919  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.720  -0.717   1.258  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.738  -1.145   2.096  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.521  -0.131   2.384  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.689  -1.519   0.734  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.107   1.376   1.685  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.722  -0.951  -0.106  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.502  -0.841  -0.710  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.224  -1.396   0.096  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.901  -0.460  -0.743  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1       -3.217   0.604   0.335  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1       -3.473  -0.246   1.582  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -4.552  -1.085   0.903  0.00  0.00    -0.009 C 
ATOM     24  C   LIG    1       -5.542  -0.005   0.433  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -4.622   1.167   0.059  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -3.798  -1.642  -0.319  0.00  0.00    +0.026 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3