REMARK  Name = BDB046965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.007  -1.033  -0.694  0.00  0.00    +0.050 A 
ATOM      2  N   LIG    1       -1.899  -0.225  -0.010  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1       -1.514   0.929   0.788  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1       -2.498   2.080   0.678  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1       -3.688   1.855   1.464  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1       -3.997   2.582   2.099  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -4.642   0.895   1.264  0.00  0.00    +0.246 C 
ATOM      8  C   LIG    1       -4.447  -0.200   0.281  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -5.605  -0.876  -0.157  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -5.541  -1.929  -1.062  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.309  -2.353  -1.551  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.129  -1.712  -1.125  0.00  0.00    +0.001 A 
ATOM     13  O   LIG    1       -5.686   0.971   1.910  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -3.204  -0.642  -0.222  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -1.760  -1.933  -1.419  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        3.255  -0.669  -0.548  0.00  0.00    -0.033 A 
ATOM     17  C   LIG    1        2.555  -0.425  -1.739  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        1.164  -0.546  -1.786  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        0.448  -0.910  -0.642  0.00  0.00    -0.001 A 
ATOM     20  C   LIG    1        1.141  -1.169   0.545  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        2.532  -1.049   0.592  0.00  0.00    +0.005 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.765  -0.542  -0.500  0.00  0.00    +0.119 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.976   1.191   1.216  0.00  0.00    +0.104 C 
ATOM     24  N   LIG    1        5.311   0.774  -0.140  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1        4.995   1.818  -1.108  0.00  0.00    +0.104 C 
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 3