REMARK  Name = BDB034818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.693   0.192   0.077  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1       -2.767  -0.217  -0.822  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1       -1.505  -0.198  -0.350  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.084   0.194   0.917  0.00  0.00    +0.099 A 
ATOM      5  N   LIG    1        0.278   0.114   1.130  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        0.852  -0.332   0.043  0.00  0.00    +0.167 A 
ATOM      7  C   LIG    1       -2.074   0.620   1.814  0.00  0.00    +0.032 A 
ATOM      8  S   LIG    1       -0.164  -0.673  -1.289  0.00  0.00    -0.032 S 
ATOM      9  C   LIG    1       -3.400   0.615   1.374  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -6.497  -0.784   1.586  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1       -6.279  -0.224   0.231  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -5.065   0.174  -0.395  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -5.461   0.563  -1.658  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1       -4.762   1.073  -2.855  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1       -6.809   0.432  -1.768  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1       -7.327  -0.053  -0.584  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1        2.177  -0.569  -0.203  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        2.407  -0.920  -1.121  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1        3.152  -0.378   0.754  0.00  0.00    +0.223 C 
ATOM     20  O   LIG    1        2.974  -0.026   1.914  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.539  -0.700   0.230  0.00  0.00    +0.095 C 
ATOM     22  C   LIG    1        5.626  -0.421   1.264  0.00  0.00    +0.129 C 
ATOM     23  N   LIG    1        6.866  -0.254   0.455  0.00  0.00    -0.269 N 
ATOM     24  C   LIG    1        6.487   0.025  -0.952  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1        4.973   0.183  -0.933  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     26  C   LIG    1        8.081  -0.033   0.971  0.00  0.00    +0.169 C 
ATOM     27  N   LIG    1        9.134   0.163   1.408  0.00  0.00    -0.174 NA
ENDBRANCH  23  26
ENDBRANCH  19  21
ENDBRANCH   6  17
TORSDOF 4