REMARK  Name = BDB029474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.815   0.569   0.823  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1       -2.416   0.502   0.830  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1       -1.624   1.119   1.786  0.00  0.00    +0.092 A 
ATOM      4  N   LIG    1       -0.293   0.887   1.542  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1       -0.249   0.133   0.466  0.00  0.00    +0.197 A 
ATOM      6  C   LIG    1       -2.236   1.855   2.811  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.634   1.943   2.836  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -1.513  -0.112  -0.003  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -1.754  -0.643  -0.827  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.410   1.311   1.859  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1        0.847  -0.339  -0.164  0.00  0.00    -0.300 N 
ATOM     12  C   LIG    1        2.157  -0.149   0.449  0.00  0.00    +0.124 C 
ATOM     13  C   LIG    1        3.119  -0.810  -0.552  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1        4.383  -1.234   0.173  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1        4.623  -2.388   0.513  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1        5.285  -0.233   0.434  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        6.122  -0.557   0.904  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        5.531   0.811  -0.420  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        6.637   1.342  -0.465  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        4.375   1.273  -1.273  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1        3.512   0.102  -1.726  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        2.274  -2.003  -1.031  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        0.845  -1.461  -1.091  0.00  0.00    +0.109 C 
ENDBRANCH   5  11
BRANCH   1  24
ATOM     24  C   LIG    1       -4.575  -0.124  -0.242  0.00  0.00    +0.341 C 
ATOM     25  O   LIG    1       -4.037  -0.767  -1.133  0.00  0.00    -0.245 OA
BRANCH  24  27
ATOM     26  C   LIG    1       -6.708  -0.583  -1.073  0.00  0.00    +0.280 C 
ATOM     27  O   LIG    1       -5.907   0.059  -0.080  0.00  0.00    -0.464 OA
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 3