REMARK  Name = BDB037175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.909  -1.043  -0.847  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -1.125  -0.203  -0.318  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.390  -1.585  -0.814  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.650  -2.733  -1.137  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.462  -0.636  -0.353  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        2.565  -1.216   0.182  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.549  -0.408   0.626  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.482   0.980   0.592  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.336   1.556   0.030  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.312   0.744  -0.451  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.689  -0.976   1.159  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        4.699  -2.401   1.084  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.609   1.844   1.086  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.429   2.318  -0.019  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.163   3.513  -0.592  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.098   3.621  -1.539  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.962   2.512  -1.571  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.508   1.686  -0.571  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.255  -1.952  -1.241  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.162  -2.196  -2.665  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.392  -3.006  -0.260  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.820  -1.083  -1.686  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.634  -0.856  -0.975  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -3.566   0.228  -0.090  0.00  0.00    +0.151 A 
ATOM     25  C   LIG    1       -4.649   1.107   0.033  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -5.824   0.875  -0.679  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -5.916  -0.228  -1.523  0.00  0.00    +0.048 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -5.116  -1.883  -3.842  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -4.970  -2.204  -2.457  0.00  0.00    -0.493 OA
ENDBRANCH  22  29
BRANCH  24  30
ATOM     30  O   LIG    1       -2.424   0.480   0.635  0.00  0.00    -0.487 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -2.583   0.488   2.077  0.00  0.00    +0.174 C 
ATOM     32  C   LIG    1       -1.254   0.445   2.875  0.00  0.00    +0.045 C 
ATOM     33  C   LIG    1       -1.972  -0.453   3.899  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -2.929  -0.860   2.764  0.00  0.00    +0.045 C 
ENDBRANCH  30  31
ENDBRANCH  24  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 9