REMARK  Name = BDB045204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.454   2.589  -1.399  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -0.841   2.113  -1.122  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.652   2.693  -0.132  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -1.127   3.779   0.577  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.161   4.262   0.317  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.950   3.667  -0.662  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.950   2.175   0.134  0.00  0.00    -0.271 N 
ATOM      8  C   LIG    1       -3.921   2.742   0.971  0.00  0.00    +0.220 C 
ATOM      9  O   LIG    1       -3.864   3.758   1.647  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -5.175   1.903   0.875  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1       -4.699   0.586   0.272  0.00  0.00    +0.045 C 
ATOM     12  C   LIG    1       -3.464   0.995  -0.529  0.00  0.00    +0.122 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.451  -0.473   1.336  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -5.392  -1.503   1.503  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -5.212  -2.487   2.478  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.093  -2.453   3.305  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.155  -1.434   3.158  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.333  -0.450   2.183  0.00  0.00    +0.004 A 
ENDBRANCH  11  13
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1        1.308   1.913  -2.453  0.00  0.00    +0.151 C 
BRANCH  19  23
ATOM     20  N   LIG    1        0.361  -0.688  -2.619  0.00  0.00    -0.272 NA
ATOM     21  H   LIG    1        0.142  -1.685  -2.634  0.00  0.00    +0.189 HD
ATOM     22  C   LIG    1        1.514  -0.513  -2.070  0.00  0.00    +0.182 C 
ATOM     23  N   LIG    1        2.024   0.760  -1.915  0.00  0.00    -0.240 N 
ATOM     24  C   LIG    1        3.254   0.995  -1.315  0.00  0.00    +0.224 C 
ATOM     25  O   LIG    1        3.840   2.079  -1.339  0.00  0.00    -0.275 OA
ATOM     26  C   LIG    1        3.849  -0.164  -0.552  0.00  0.00    +0.122 C 
ATOM     27  C   LIG    1        3.651  -1.482  -1.298  0.00  0.00    +0.042 C 
ATOM     28  C   LIG    1        4.474  -1.498  -2.606  0.00  0.00    +0.032 C 
ATOM     29  N   LIG    1        2.242  -1.584  -1.659  0.00  0.00    -0.311 N 
ATOM     30  H   LIG    1        1.946  -2.491  -1.997  0.00  0.00    +0.149 HD
BRANCH  27  31
ATOM     31  C   LIG    1        4.018  -2.731  -0.418  0.00  0.00    +0.006 C 
ATOM     32  C   LIG    1        3.167  -2.858   0.856  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        5.499  -2.792  -0.023  0.00  0.00    +0.009 C 
ENDBRANCH  27  31
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5