REMARK  Name = BDB034912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.194   2.304  -1.212  0.00  0.00    -0.154 NA
ATOM      2  C   LIG    1       -1.307   2.208  -0.584  0.00  0.00    +0.155 C 
ATOM      3  N   LIG    1       -2.044   1.217   0.070  0.00  0.00    -0.267 N 
ATOM      4  C   LIG    1       -3.191   1.768   0.821  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1       -3.687   2.991   0.073  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1       -2.160   3.779  -0.468  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.700  -0.125   0.259  0.00  0.00    +0.107 A 
ATOM      8  N   LIG    1       -1.406  -0.950  -0.805  0.00  0.00    -0.311 N 
ATOM      9  H   LIG    1       -1.367  -0.558  -1.742  0.00  0.00    +0.170 HD
ATOM     10  C   LIG    1       -1.080  -2.280  -0.727  0.00  0.00    +0.250 A 
ATOM     11  O   LIG    1       -0.818  -2.969  -1.706  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1       -1.058  -2.866   0.632  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -1.352  -2.086   1.677  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -1.688  -0.696   1.484  0.00  0.00    +0.042 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  O   LIG    1        0.358   0.434  -2.377  0.00  0.00    -0.268 OA
ATOM     16  C   LIG    1        0.541   1.180  -1.421  0.00  0.00    +0.271 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.571   0.954  -0.409  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        2.375  -0.223  -0.250  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.200  -0.013   0.850  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        4.107  -0.859   1.373  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        4.179  -2.031   0.700  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        3.421  -2.377  -0.410  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        2.941   1.234   1.341  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        3.424   1.631   2.134  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        2.494  -1.461  -0.907  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        1.955   1.830   0.600  0.00  0.00    +0.098 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 3