REMARK  Name = BDB002716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.651  -0.632  -1.072  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1       -1.474  -0.415   0.201  0.00  0.00    +0.122 C 
ATOM      3  N   LIG    1       -0.852  -1.082   1.372  0.00  0.00    -0.166 NA
ATOM      4  C   LIG    1       -0.680  -2.538   1.168  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1        0.261  -2.763  -0.010  0.00  0.00    +0.018 C 
ATOM      6  C   LIG    1       -0.272  -2.103  -1.281  0.00  0.00    +0.014 C 
ENDROOT
BRANCH   3   7
ATOM      7  S   LIG    1       -1.517  -0.637   2.859  0.00  0.00    +0.099 S 
ATOM      8  O   LIG    1       -1.617   0.803   2.921  0.00  0.00    -0.141 OA
ATOM      9  O   LIG    1       -2.669  -1.476   3.097  0.00  0.00    -0.141 OA
BRANCH   7  10
ATOM     10  N   LIG    1       -0.268  -1.114   3.902  0.00  0.00    -0.172 NA
ATOM     11  C   LIG    1       -0.667  -1.110   5.325  0.00  0.00    +0.132 C 
ATOM     12  C   LIG    1        1.009  -0.393   3.692  0.00  0.00    +0.132 C 
ENDBRANCH   7  10
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  C   LIG    1        0.594   0.254  -1.093  0.00  0.00    +0.169 C 
ATOM     14  O   LIG    1        1.427   0.306  -0.192  0.00  0.00    -0.292 OA
BRANCH  13  16
ATOM     15  C   LIG    1        0.080   2.087  -2.765  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        0.875   1.016  -2.329  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        2.004   0.619  -3.061  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        2.326   1.263  -4.253  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        1.525   2.306  -4.713  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        0.412   2.715  -3.974  0.00  0.00    +0.015 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -0.479   3.530  -0.493  0.00  0.00    +0.090 C 
ATOM     22  S   LIG    1       -1.335   2.729  -1.880  0.00  0.00    -0.128 S 
ENDBRANCH  15  22
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 5