REMARK  Name = BDB049970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.632   1.736   0.092  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.710   1.690  -1.131  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -0.644   1.608  -0.605  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -1.724   1.514  -1.465  0.00  0.00    +0.265 C 
ATOM      5  O   LIG    1       -1.550   1.578  -2.682  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.658   1.841   0.832  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.728   2.396   1.144  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        1.363  -2.194   3.010  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        2.018  -1.512   1.847  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        1.570  -0.279   1.520  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        2.143   0.358   0.472  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        3.176  -0.217  -0.266  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        3.640  -1.489   0.078  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        3.043  -2.146   1.154  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1        4.712  -2.129  -0.666  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        5.726  -1.471  -1.332  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1        6.521  -2.439  -1.877  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1        7.712  -2.244  -2.667  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        6.101  -3.688  -1.611  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        5.002  -3.498  -0.877  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1       -3.048   1.369  -0.900  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1       -4.190   1.867  -1.482  0.00  0.00    -0.262 N 
ATOM     23  C   LIG    1       -4.285   2.628  -2.707  0.00  0.00    +0.173 C 
ATOM     24  N   LIG    1       -5.314   1.621  -0.779  0.00  0.00    -0.176 NA
ATOM     25  C   LIG    1       -4.901   0.883   0.256  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1       -3.501   0.691   0.218  0.00  0.00    +0.058 A 
BRANCH  25  27
ATOM     27  C   LIG    1       -5.891   0.370   1.261  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1       -5.951  -1.159   1.261  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1       -5.590   0.894   2.667  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4