REMARK  Name = BDB059554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.443  -0.005   1.491  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1        0.060   0.241   2.402  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.507  -0.356   0.476  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.145  -0.977  -0.720  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1       -1.115  -1.282  -1.671  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -2.458  -0.972  -1.428  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -2.861  -0.352  -0.233  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -1.855  -0.055   0.711  0.00  0.00    +0.032 A 
BRANCH   7   9
ATOM      9  C   LIG    1       -4.328   0.008   0.062  0.00  0.00    -0.013 C 
ATOM     10  C   LIG    1       -4.457   1.534   0.262  0.00  0.00    +0.015 C 
ATOM     11  C   LIG    1       -4.792  -0.713   1.346  0.00  0.00    +0.015 C 
ATOM     12  C   LIG    1       -5.308  -0.390  -1.064  0.00  0.00    +0.015 C 
ENDBRANCH   7   9
BRANCH   4  13
ATOM     13  O   LIG    1        1.159  -1.307  -0.959  0.00  0.00    -0.505 OA
ATOM     14  H   LIG    1        1.257  -1.516  -1.902  0.00  0.00    +0.292 HD
ENDBRANCH   4  13
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        1.661   1.114   1.097  0.00  0.00    +0.076 S 
ATOM     16  O   LIG    1        1.318   1.762  -0.151  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        1.845   1.872   2.320  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1        4.267   0.726   0.298  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1        3.137   0.146   0.896  0.00  0.00    +0.151 A 
ATOM     20  C   LIG    1        3.166  -1.180   1.353  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        4.321  -1.937   1.188  0.00  0.00    +0.020 A 
ATOM     22 BR   LIG    1        4.363  -3.729   1.784  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1        5.446  -1.382   0.586  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        5.420  -0.055   0.146  0.00  0.00    +0.049 A 
BRANCH  18  26
ATOM     25  C   LIG    1        5.269   2.609  -0.785  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        4.181   2.038  -0.073  0.00  0.00    -0.493 OA
ENDBRANCH  18  26
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 6