REMARK  Name = BDB039387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.223   0.163   1.030  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.400  -0.078   2.120  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.726  -0.323   3.266  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.019   0.015   1.637  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.054   0.237   0.264  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        0.875   0.364  -0.452  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -0.364   0.264   0.221  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.354   0.046   1.625  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        0.839  -0.085   2.344  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.467   0.285  -0.211  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.631   0.396  -0.533  0.00  0.00    +0.074 A 
ATOM     12  N   LIG    1       -1.610   1.321  -1.524  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1       -2.776   1.439  -2.182  0.00  0.00    +0.139 A 
ATOM     14  C   LIG    1       -3.948   0.723  -1.975  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -4.896   1.219  -2.916  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1       -4.280   2.204  -3.658  0.00  0.00    +0.085 A 
ATOM     17  C   LIG    1       -3.950  -0.259  -0.965  0.00  0.00    -0.021 A 
ATOM     18  N   LIG    1       -2.994   2.326  -3.200  0.00  0.00    -0.346 N 
ATOM     19  H   LIG    1       -2.295   2.971  -3.536  0.00  0.00    +0.167 HD
ATOM     20  C   LIG    1       -2.749  -0.396  -0.240  0.00  0.00    +0.034 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.146  -1.121  -0.634  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -6.104  -0.418   0.223  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -7.237  -1.314   0.578  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1       -7.162  -0.728   2.000  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -5.688  -0.448   1.650  0.00  0.00    +0.086 C 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   7  11
BRANCH   1  32
ATOM     26  O   LIG    1        9.351  -1.006  -0.507  0.00  0.00    -0.275 OA
ATOM     27  C   LIG    1        8.291  -0.728   0.045  0.00  0.00    +0.219 C 
ATOM     28  N   LIG    1        7.362  -1.699   0.322  0.00  0.00    -0.255 N 
ATOM     29  H   LIG    1        7.590  -2.616  -0.039  0.00  0.00    +0.158 HD
ATOM     30  C   LIG    1        6.021  -1.488   0.550  0.00  0.00    +0.240 C 
ATOM     31  O   LIG    1        5.208  -2.382   0.328  0.00  0.00    -0.273 OA
ATOM     32  C   LIG    1        5.658  -0.089   1.075  0.00  0.00    +0.163 C 
ATOM     33  C   LIG    1        6.458   0.955   0.301  0.00  0.00    +0.041 C 
ATOM     34  C   LIG    1        7.945   0.679   0.471  0.00  0.00    +0.098 C 
ENDBRANCH   1  32
TORSDOF 4