REMARK  Name = BDB059475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.344   0.956   1.954  0.00  0.00    +0.231 A 
ATOM      2  C   LIG    1       -0.758   0.531   0.695  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -0.201  -0.003  -0.503  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -1.149  -0.173  -1.443  0.00  0.00    -0.168 NA
ATOM      5  N   LIG    1       -2.295   0.212  -0.839  0.00  0.00    -0.243 N 
ATOM      6  C   LIG    1       -2.112   0.645   0.444  0.00  0.00    +0.168 A 
ATOM      7  N   LIG    1       -3.050   1.097   1.292  0.00  0.00    -0.195 NA
ATOM      8  C   LIG    1       -2.544   1.476   2.469  0.00  0.00    +0.218 A 
ATOM      9  N   LIG    1       -1.258   1.416   2.841  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1        1.190  -0.349  -0.798  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        1.952  -1.088   0.126  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        3.277  -1.403  -0.203  0.00  0.00    +0.112 A 
ATOM     13  C   LIG    1        3.787  -0.987  -1.422  0.00  0.00    +0.157 A 
ATOM     14  O   LIG    1        5.080  -1.415  -1.499  0.00  0.00    -0.425 OA
ATOM     15  C   LIG    1        5.271  -2.075  -0.322  0.00  0.00    +0.286 A 
ATOM     16  C   LIG    1        3.077  -0.269  -2.374  0.00  0.00    +0.049 A 
ATOM     17  N   LIG    1        4.241  -2.091   0.490  0.00  0.00    -0.196 NA
ATOM     18  C   LIG    1        1.753   0.040  -2.031  0.00  0.00    +0.014 A 
BRANCH  15  19
ATOM     19  N   LIG    1        6.484  -2.598  -0.131  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        7.235  -2.188  -0.670  0.00  0.00    +0.147 HD
ATOM     21  H   LIG    1        6.724  -2.784   0.835  0.00  0.00    +0.147 HD
ENDBRANCH  15  19
ENDBRANCH   3  10
BRANCH   5  22
ATOM     22  C   LIG    1       -3.560   0.153  -1.562  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -3.552   1.080  -2.776  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1       -3.909  -1.282  -1.959  0.00  0.00    +0.032 C 
ENDBRANCH   5  22
BRANCH   8  25
ATOM     25  N   LIG    1       -3.438   1.940   3.413  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1       -3.059   1.807   4.340  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -4.360   1.570   3.230  0.00  0.00    +0.145 HD
ENDBRANCH   8  25
BRANCH   1  29
ATOM     28  C   LIG    1        1.254   1.439   3.598  0.00  0.00    +0.279 C 
ATOM     29  O   LIG    1        0.991   0.915   2.301  0.00  0.00    -0.479 OA
ENDBRANCH   1  29
TORSDOF 5