REMARK  Name = BDB035062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.066   0.443  -2.613  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.175   0.254  -1.950  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.375  -1.111  -2.014  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.479  -1.774  -1.486  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.439  -0.973  -0.846  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        3.255   0.425  -0.761  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.331  -1.691  -2.662  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        2.125   1.065  -1.301  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.580  -0.716  -3.034  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.666   1.684  -2.782  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.233   2.473  -2.302  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.309   1.887  -2.999  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -2.685   1.300  -4.269  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.601   3.282  -2.732  0.00  0.00    -0.150 OA
BRANCH  12  18
ATOM     15  C   LIG    1       -4.267  -0.588   0.295  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -3.304   0.372   0.634  0.00  0.00    +0.064 A 
ATOM     17  C   LIG    1       -2.686   1.145  -0.357  0.00  0.00    +0.148 A 
ATOM     18  C   LIG    1       -3.057   0.936  -1.694  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -4.018  -0.025  -2.037  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1       -4.622  -0.786  -1.039  0.00  0.00    +0.019 A 
BRANCH  15  23
ATOM     21  C   LIG    1       -6.047  -2.824   3.227  0.00  0.00    +0.106 C 
ATOM     22  C   LIG    1       -5.409  -2.024   2.182  0.00  0.00    -0.100 C 
ATOM     23  C   LIG    1       -4.887  -1.369   1.321  0.00  0.00    -0.066 C 
ENDBRANCH  15  23
BRANCH  17  24
ATOM     24  O   LIG    1       -1.725   2.087  -0.109  0.00  0.00    -0.493 OA
ATOM     25  C   LIG    1       -1.326   2.294   1.241  0.00  0.00    +0.277 C 
ENDBRANCH  17  24
ENDBRANCH  12  18
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1        1.865   2.407  -1.240  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1        2.799   3.216  -0.533  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  C   LIG    1        4.669  -1.608  -0.235  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.618  -1.577   1.220  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        5.208  -0.569   1.898  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        4.983  -0.875   3.178  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        4.256  -2.071   3.324  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        4.037  -2.506   2.038  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8