REMARK  Name = BDB049173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.893  -0.209  -1.267  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1        0.196  -0.046  -0.440  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1        0.047   0.112   0.554  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.875  -0.268  -2.491  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.567   0.025  -0.790  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1        2.457   0.261   0.272  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1        3.837   0.341  -0.014  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        4.722   0.578   1.047  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        4.233   0.727   2.338  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.868   0.634   2.529  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1        4.300   0.184  -1.329  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        3.402  -0.053  -2.366  0.00  0.00    +0.003 A 
ATOM     13  N   LIG    1        1.982   0.405   1.535  0.00  0.00    -0.253 NA
ATOM     14  C   LIG    1        2.037  -0.134  -2.098  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     15  C   LIG    1       -4.734  -0.357   0.682  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -3.606  -0.881   1.320  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -2.347  -0.832   0.710  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -2.211  -0.281  -0.570  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -3.349   0.174  -1.242  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -4.603   0.120  -0.624  0.00  0.00    +0.023 A 
BRANCH  15  21
ATOM     21  N   LIG    1       -6.002  -0.519   1.249  0.00  0.00    -0.358 N 
ATOM     22  H   LIG    1       -6.698   0.129   0.894  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1       -6.000  -0.565   2.263  0.00  0.00    +0.142 HD
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 3