REMARK  Name = BDB046968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.900  -2.975  -0.178  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        0.131  -1.703  -0.063  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -1.292  -1.573  -0.078  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -1.608  -0.212   0.041  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -2.950   0.233   0.026  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -3.396   1.646   0.108  0.00  0.00    +0.246 C 
ATOM      7  N   LIG    1       -2.587   2.624   0.620  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1       -3.058   3.519   0.689  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -1.325   2.448   1.297  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1       -0.258   1.885   0.376  0.00  0.00    +0.141 C 
ATOM     11  O   LIG    1       -4.522   1.964  -0.270  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -3.959  -0.742  -0.111  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -3.662  -2.094  -0.213  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -0.400   0.454   0.156  0.00  0.00    -0.337 N 
ATOM     15  C   LIG    1       -2.335  -2.517  -0.196  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        0.661  -0.429   0.065  0.00  0.00    +0.053 A 
ENDROOT
BRANCH  16  17
ATOM     17  C   LIG    1        2.067  -0.028   0.109  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        2.839  -0.293   1.246  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.180   0.091   1.290  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.757   0.739   0.198  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.995   0.999  -0.941  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.654   0.615  -0.987  0.00  0.00    +0.010 A 
ENDBRANCH  16  17
TORSDOF 1