REMARK  Name = BDB016948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.139  -2.905  -2.680  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.094  -2.194  -2.439  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.305  -1.207  -1.498  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -1.649  -0.876  -1.653  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1       -2.224  -1.641  -2.654  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -1.265  -2.415  -3.102  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.725  -0.731  -0.583  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.712  -1.127   0.759  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        1.706  -0.689   1.642  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        2.728   0.154   1.185  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        2.739   0.553  -0.161  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.742   0.113  -1.037  0.00  0.00    +0.012 A 
BRANCH  10  13
ATOM     13  N   LIG    1        3.752   0.616   2.059  0.00  0.00    -0.240 N 
ATOM     14  N   LIG    1        4.748   1.423   1.605  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        5.514   1.653   2.672  0.00  0.00    +0.135 A 
ATOM     16  C   LIG    1        5.041   1.009   3.822  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        3.909   0.349   3.405  0.00  0.00    +0.114 A 
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   4  18
ATOM     18  C   LIG    1       -2.411   0.126  -0.911  0.00  0.00    +0.092 A 
ATOM     19  N   LIG    1       -1.727   1.000  -0.129  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1       -2.424   1.931   0.554  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1       -3.796   2.059   0.483  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -4.479   1.166  -0.340  0.00  0.00    +0.062 A 
ATOM     23  C   LIG    1       -3.792   0.176  -1.037  0.00  0.00    +0.045 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -5.947   1.231  -0.463  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1       -6.670   0.258  -0.361  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -6.387   2.480  -0.721  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -5.686   3.119  -0.950  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   4  18
TORSDOF 5