REMARK  Name = BDB029628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.154   1.084  -1.077  0.00  0.00    -0.293 NA
ATOM      2  C   LIG    1        1.066   1.630  -1.713  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1        2.307   0.712  -1.612  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.667   0.490  -0.203  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        1.560   0.538   0.766  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.203   0.234   0.086  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.954   0.154   0.178  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        4.928  -0.305  -0.719  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1        6.209  -0.644  -0.414  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        6.560  -0.517   0.892  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        5.693  -0.076   1.877  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        4.388   0.259   1.507  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1        7.969  -0.889   1.244  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1        8.736  -1.281   0.166  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        8.243  -1.367  -0.719  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       10.068  -1.800   0.315  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1        8.375  -0.849   2.400  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -1.150   2.131  -0.745  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -1.427   3.098  -1.913  0.00  0.00    +0.029 C 
BRANCH  18  29
ATOM     20  C   LIG    1       -6.836  -0.938   0.280  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -6.194  -1.522  -0.951  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -6.728  -2.423  -1.591  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -4.984  -1.007  -1.335  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -4.569  -1.414  -2.162  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.333   0.018  -0.642  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -4.917   0.565   0.497  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -4.360   1.556   1.225  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -3.163   2.017   0.790  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -2.489   1.534  -0.334  0.00  0.00    -0.010 A 
ATOM     30  C   LIG    1       -3.106   0.509  -1.066  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -6.207   0.050   0.945  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -8.854  -0.985   1.888  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -8.168  -1.546   0.648  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 5