REMARK  Name = BDB039292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.210  -0.334   1.299  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.288   0.007  -0.055  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.687  -0.563  -0.384  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.689  -0.044   0.564  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -2.206   0.263   1.921  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.910  -0.517   2.246  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.034   0.013   0.244  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -4.598  -0.664  -0.847  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -5.905  -0.644  -1.219  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1       -6.731   0.108  -0.446  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -6.300   0.828   0.655  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.945   0.773   0.992  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -8.175   0.143  -0.847  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -8.477  -0.644  -1.939  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -7.683  -1.078  -2.404  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -9.775  -0.645  -2.554  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -8.993   0.828  -0.243  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        1.169   0.669   1.787  0.00  0.00    +0.119 C 
BRANCH  18  28
ATOM     19  C   LIG    1        6.885  -0.075  -1.168  0.00  0.00    +0.259 C 
ATOM     20  C   LIG    1        6.361  -1.476  -0.806  0.00  0.00    +0.258 C 
ATOM     21  O   LIG    1        6.970  -2.513  -1.058  0.00  0.00    -0.271 OA
ATOM     22  N   LIG    1        5.190  -1.499  -0.101  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1        4.863  -2.399   0.224  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1        4.419  -0.351   0.067  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1        4.796   0.839  -0.556  0.00  0.00    +0.143 A 
ATOM     26  C   LIG    1        3.996   1.972  -0.431  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        2.825   1.921   0.330  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        2.438   0.729   0.962  0.00  0.00    -0.031 A 
ATOM     29  C   LIG    1        3.247  -0.411   0.822  0.00  0.00    +0.032 A 
ATOM     30  O   LIG    1        5.907   0.956  -1.345  0.00  0.00    -0.478 OA
BRANCH  19  32
ATOM     31  C   LIG    1        9.189  -0.386  -0.096  0.00  0.00    +0.008 C 
ATOM     32  C   LIG    1        7.899   0.420  -0.123  0.00  0.00    +0.051 C 
ENDBRANCH  19  32
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 5