REMARK  Name = BDB002611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.520   0.560  -0.710  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1        0.579  -0.341  -1.279  0.00  0.00    +0.122 C 
ATOM      3  N   LIG    1        1.910   0.046  -0.732  0.00  0.00    -0.176 NA
ATOM      4  C   LIG    1        2.262   1.452  -1.034  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1        1.182   2.422  -0.562  0.00  0.00    +0.018 C 
ATOM      6  C   LIG    1       -0.208   2.023  -1.054  0.00  0.00    +0.015 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.677  -2.095   0.106  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -5.200  -0.671  -0.111  0.00  0.00    +0.003 C 
ATOM      9  C   LIG    1       -4.319   0.089  -1.112  0.00  0.00    +0.111 C 
ATOM     10  N   LIG    1       -3.011   0.436  -0.553  0.00  0.00    -0.301 N 
ATOM     11  C   LIG    1       -1.869   0.166  -1.302  0.00  0.00    +0.220 C 
ATOM     12  O   LIG    1       -1.930  -0.323  -2.432  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -2.990   0.913   0.832  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1       -4.377   1.262   1.356  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -5.334   0.078   1.229  0.00  0.00    +0.006 C 
ENDBRANCH   1  11
BRANCH   3  16
ATOM     16  S   LIG    1        2.315  -0.588   0.788  0.00  0.00    +0.063 S 
ATOM     17  O   LIG    1        1.911  -1.975   0.861  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1        1.841   0.357   1.781  0.00  0.00    -0.153 OA
BRANCH  16  19
ATOM     19  C   LIG    1        4.069  -0.552   0.818  0.00  0.00    +0.133 A 
ATOM     20  C   LIG    1        4.859  -1.181  -0.171  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        6.368  -1.108  -0.082  0.00  0.00    +0.102 A 
ATOM     22  N   LIG    1        6.993  -1.743  -1.084  0.00  0.00    -0.191 NA
ATOM     23  S   LIG    1        5.805  -2.386  -2.047  0.00  0.00    +0.117 S 
ATOM     24  C   LIG    1        7.006  -0.419   0.978  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1        6.165   0.184   1.928  0.00  0.00    +0.004 A 
ATOM     26  N   LIG    1        4.449  -1.870  -1.248  0.00  0.00    -0.189 NA
ATOM     27  C   LIG    1        4.755   0.122   1.854  0.00  0.00    +0.031 A 
ENDBRANCH  16  19
ENDBRANCH   3  16
TORSDOF 3