REMARK  Name = BDB058037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.842   0.770   0.663  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -3.089  -0.134  -0.065  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -1.715  -0.231  -0.096  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -1.417  -1.276  -0.961  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -2.659  -1.879  -1.506  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -2.786  -2.804  -2.277  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1       -0.189  -1.714  -1.266  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -3.708  -1.082  -0.882  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -5.079  -1.180  -1.019  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -5.854  -0.274  -0.295  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.243   0.689   0.535  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.050  -1.143  -0.729  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        1.302   0.232  -0.750  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.503   0.739  -0.241  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        3.491  -0.107   0.291  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        3.232  -1.487   0.290  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        2.030  -1.998  -0.219  0.00  0.00    +0.009 A 
BRANCH  15  18
ATOM     18  C   LIG    1        4.735   0.495   0.817  0.00  0.00    +0.108 A 
ATOM     19  S   LIG    1        6.078  -0.463   1.331  0.00  0.00    -0.076 S 
ATOM     20  C   LIG    1        6.949   0.955   1.725  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1        6.181   2.060   1.445  0.00  0.00    +0.119 A 
ATOM     22  N   LIG    1        4.928   1.798   0.930  0.00  0.00    -0.247 NA
ENDBRANCH  15  18
ENDBRANCH   7  12
BRANCH   1  26
ATOM     23  N   LIG    1       -1.915   1.842   1.729  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -1.538   2.537   2.361  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -1.277   1.175   1.313  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -3.269   1.809   1.557  0.00  0.00    +0.245 C 
ATOM     27  O   LIG    1       -3.988   2.616   2.133  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3