REMARK  Name = BDB060428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.563   0.186   0.172  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        0.868  -0.639  -0.424  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.583   0.788   0.932  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        1.386   1.761   1.740  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -6.228  -2.119  -2.551  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -5.218  -1.910  -1.617  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -4.735  -3.152  -1.902  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -4.238  -1.708  -0.713  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -4.322  -0.449   0.011  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -3.166   0.336   0.141  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.358   1.722   0.254  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -2.297   2.543   0.341  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.010   2.036   0.317  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -0.781   0.669   0.204  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -4.766   2.195   0.218  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -5.709   1.321   1.006  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -1.859  -0.164   0.117  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -5.624  -0.114   0.623  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -3.293  -2.513  -0.479  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        2.963   0.352   0.850  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.783   0.240   1.957  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        5.104  -0.088   1.778  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        5.630  -0.310   0.527  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        4.820  -0.203  -0.556  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        3.500   0.124  -0.400  0.00  0.00    +0.014 A 
BRANCH  23  26
ATOM     26  C   LIG    1        7.046  -0.619   0.265  0.00  0.00    +0.092 A 
ATOM     27  N   LIG    1        7.983  -0.786   1.194  0.00  0.00    -0.174 NA
ATOM     28  N   LIG    1        9.175  -1.025   0.626  0.00  0.00    -0.284 N 
ATOM     29  H   LIG    1       10.037  -1.183   1.191  0.00  0.00    +0.188 HD
ATOM     30  C   LIG    1        9.000  -1.012  -0.706  0.00  0.00    +0.105 A 
ATOM     31  C   LIG    1        7.662  -0.756  -0.942  0.00  0.00    +0.049 A 
ENDBRANCH  23  26
ENDBRANCH   3  20
TORSDOF 3