REMARK  Name = BDB028299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.503   1.330  -0.161  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.819   0.948  -0.461  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.756   0.769   0.565  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.370   0.963   1.889  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.351   0.741   2.963  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.602   0.337   2.567  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.291   0.177   3.295  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.017   0.154   1.284  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.056   0.905   4.142  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.063   1.354   2.198  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.164   0.364   0.323  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.134   1.542   1.174  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1        1.706   0.909  -1.320  0.00  0.00    +0.078 A 
ATOM     14  N   LIG    1        2.230   1.348  -2.519  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        3.489   0.971  -3.122  0.00  0.00    +0.173 C 
ATOM     16  N   LIG    1        1.426   2.202  -3.182  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        0.346   2.288  -2.407  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1        0.455   1.509  -1.235  0.00  0.00    +0.027 A 
BRANCH  13  23
ATOM     19  C   LIG    1        4.448  -2.667   2.199  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1        3.709  -1.751   1.270  0.00  0.00    +0.038 A 
ATOM     21  N   LIG    1        4.254  -0.534   1.033  0.00  0.00    -0.260 NA
ATOM     22  C   LIG    1        3.580   0.294   0.201  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        2.384  -0.030  -0.431  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        1.843  -1.288  -0.167  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        2.510  -2.160   0.692  0.00  0.00    +0.024 A 
ENDBRANCH  13  23
ENDBRANCH   1  18
BRANCH  11  26
ATOM     26  C   LIG    1       -4.665   0.167  -1.105  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.203  -1.131  -1.601  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -4.627  -1.304  -2.512  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -4.578  -1.857  -0.987  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 4