REMARK  Name = BDB026614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.482  -0.275   1.957  0.00  0.00    -0.192 N 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.576  -0.136   0.988  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1        1.718   0.650   1.285  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        2.727   0.808   0.295  0.00  0.00    -0.009 A 
ATOM      5  C   LIG    1        3.862   1.591   0.617  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        4.011   2.200   1.864  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.030   2.039   2.828  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.564   0.170  -0.965  0.00  0.00    -0.017 A 
ATOM      9  C   LIG    1        1.427  -0.606  -1.224  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.901   1.272   2.543  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        0.443  -0.762  -0.255  0.00  0.00    +0.026 A 
BRANCH   8  12
ATOM     12  C   LIG    1        3.556   0.317  -2.044  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1        4.238  -0.728  -2.536  0.00  0.00    +0.092 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.241  -0.614  -3.603  0.00  0.00    +0.330 C 
ATOM     15  O   LIG    1        5.850  -1.556  -4.075  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1        5.442   0.642  -4.030  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        6.126   0.546  -4.725  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   8  12
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  S   LIG    1       -1.732   0.885   1.942  0.00  0.00    +0.075 S 
ATOM     19  O   LIG    1       -2.663   0.560   3.003  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -1.165   2.213   1.837  0.00  0.00    -0.150 OA
BRANCH  18  24
ATOM     21  C   LIG    1       -3.964   0.110  -1.983  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1       -2.907   1.025  -1.937  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -2.223   1.266  -0.745  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -2.587   0.565   0.407  0.00  0.00    +0.109 A 
ATOM     25  C   LIG    1       -3.659  -0.331   0.381  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -4.341  -0.564  -0.818  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -5.670  -0.892  -3.304  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -4.541  -0.031  -3.214  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  18  24
ENDBRANCH   1  18
BRANCH   1  29
ATOM     29  C   LIG    1       -0.840  -1.641   2.392  0.00  0.00    +0.251 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.064  -1.690   3.889  0.00  0.00    +0.324 C 
ATOM     31  O   LIG    1       -0.480  -1.046   4.746  0.00  0.00    -0.249 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -1.990  -2.608   4.242  0.00  0.00    -0.479 OA
ATOM     33  H   LIG    1       -2.057  -2.494   5.215  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 10