REMARK  Name = BDB053478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.411   0.285  -0.348  0.00  0.00    +0.169 A 
ATOM      2  C   LIG    1       -0.208   1.066   0.714  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -0.980   0.455   1.670  0.00  0.00    -0.293 N 
ATOM      4  C   LIG    1       -1.412   1.451   2.516  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -0.862   2.613   2.001  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -1.162  -0.911   1.615  0.00  0.00    +0.140 A 
ATOM      7  C   LIG    1       -0.573  -1.598   0.617  0.00  0.00    +0.194 A 
ATOM      8  N   LIG    1       -0.111   2.368   0.877  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1        0.216  -1.013  -0.370  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -2.311   1.373   3.777  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -2.890   0.266   4.345  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -3.583   0.718   5.436  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -4.135   0.180   6.097  0.00  0.00    +0.188 HD
ATOM     14  N   LIG    1       -3.493   2.045   5.614  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1       -2.717   2.444   4.603  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   7  16
ATOM     16  S   LIG    1       -0.868  -3.343   0.634  0.00  0.00    +0.013 S 
ATOM     17  O   LIG    1       -2.281  -3.574   0.386  0.00  0.00    -0.168 OA
ATOM     18  O   LIG    1       -0.244  -3.905   1.820  0.00  0.00    -0.168 OA
ATOM     19  C   LIG    1        0.028  -3.936  -0.777  0.00  0.00    +0.202 C 
ENDBRANCH   7  16
BRANCH   1  20
ATOM     20  N   LIG    1        1.179   0.958  -1.284  0.00  0.00    -0.290 N 
ATOM     21  H   LIG    1        1.205   1.958  -1.091  0.00  0.00    +0.154 HD
BRANCH  20  26
ATOM     22  C   LIG    1        4.066   1.037  -5.374  0.00  0.00    +0.066 C 
ATOM     23  C   LIG    1        3.210   0.516  -4.275  0.00  0.00    +0.049 A 
ATOM     24  N   LIG    1        2.966  -0.791  -4.226  0.00  0.00    -0.214 NA
ATOM     25  S   LIG    1        1.999  -1.107  -2.923  0.00  0.00    +0.027 S 
ATOM     26  C   LIG    1        1.869   0.513  -2.367  0.00  0.00    +0.091 A 
ATOM     27  C   LIG    1        2.607   1.297  -3.238  0.00  0.00    +0.055 A 
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 4