REMARK  Name = BDB037254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.436   1.356  -0.697  0.00  0.00    -0.219 N 
ATOM      2  H   LIG    1       -0.365   0.382  -0.438  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1        0.717   2.062  -0.888  0.00  0.00    +0.274 C 
ATOM      4  O   LIG    1        0.791   3.275  -1.051  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.943   1.207  -0.911  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        1.738  -0.136  -0.816  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.841  -0.917  -0.860  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        4.140  -0.426  -0.979  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        4.306   0.963  -1.052  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.193   1.796  -1.026  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        2.694  -2.288  -0.791  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        1.338  -2.720  -0.749  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.337  -1.338  -0.993  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.885  -1.504   0.345  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.851  -0.670   0.786  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.117  -1.117   2.016  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.338  -2.237   2.360  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.554  -2.469   1.255  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.849   2.131  -0.226  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -1.539   2.676   1.077  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -2.194   2.907  -1.505  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -1.417   3.546  -1.704  0.00  0.00    +0.199 HD
BRANCH  19  24
ATOM     23  C   LIG    1       -2.751  -0.398   0.398  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1       -3.110   0.909   0.050  0.00  0.00    +0.148 A 
ATOM     25  C   LIG    1       -4.471   1.252  -0.022  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -5.464   0.284   0.237  0.00  0.00    -0.007 A 
ATOM     27  C   LIG    1       -6.929   0.622   0.230  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1       -5.078  -1.039   0.491  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -3.730  -1.379   0.573  0.00  0.00    +0.047 A 
BRANCH  23  31
ATOM     30  C   LIG    1       -1.132  -0.873   1.963  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -1.439  -0.763   0.565  0.00  0.00    -0.494 OA
ENDBRANCH  23  31
BRANCH  25  32
ATOM     32  O   LIG    1       -4.850   2.555  -0.217  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -5.298   2.779  -1.557  0.00  0.00    +0.277 C 
ENDBRANCH  25  32
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 8