REMARK  Name = BDB064294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.125  -3.101  -0.907  0.00  0.00    -0.239 N 
ATOM      2  C   LIG    1       -0.240  -1.812  -0.653  0.00  0.00    +0.190 C 
ATOM      3  N   LIG    1        0.701  -1.082  -0.132  0.00  0.00    -0.213 NA
ATOM      4  C   LIG    1        1.792  -1.910  -0.035  0.00  0.00    +0.130 C 
ATOM      5  C   LIG    1        3.008  -1.624   0.447  0.00  0.00    +0.041 C 
ATOM      6  C   LIG    1        1.439  -3.255  -0.560  0.00  0.00    +0.271 C 
ATOM      7  O   LIG    1        2.163  -4.227  -0.662  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        3.440  -0.325   0.987  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1        3.017   0.892   0.428  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        3.487   2.096   0.982  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        4.376   2.117   2.058  0.00  0.00    +0.078 A 
ATOM     12  N   LIG    1        4.753   3.378   2.494  0.00  0.00    -0.247 NA
ATOM     13  C   LIG    1        4.157   4.289   1.760  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1        4.812   0.891   2.596  0.00  0.00    +0.029 A 
ATOM     15  S   LIG    1        3.126   3.717   0.519  0.00  0.00    -0.075 S 
ATOM     16  C   LIG    1        4.345  -0.313   2.054  0.00  0.00    +0.010 A 
ENDBRANCH   5   8
BRANCH   1  18
ATOM     17  C   LIG    1       -0.584  -4.025  -3.071  0.00  0.00    +0.025 C 
ATOM     18  C   LIG    1       -0.637  -4.150  -1.557  0.00  0.00    +0.113 C 
ENDBRANCH   1  18
BRANCH   2  19
ATOM     19  N   LIG    1       -1.502  -1.367  -0.943  0.00  0.00    -0.312 N 
ATOM     20  H   LIG    1       -2.202  -2.100  -0.916  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.061  -0.117  -0.391  0.00  0.00    +0.099 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.195   1.107  -0.749  0.00  0.00    +0.027 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.996   2.373  -1.124  0.00  0.00    -0.015 C 
ATOM     24  C   LIG    1       -2.897   2.878   0.001  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -1.030   3.485  -1.546  0.00  0.00    +0.007 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
BRANCH  21  26
ATOM     26  C   LIG    1       -2.288  -0.289   1.129  0.00  0.00    +0.181 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -3.233  -1.345   1.378  0.00  0.00    -0.381 OA
ATOM     28  C   LIG    1       -4.577  -0.881   1.408  0.00  0.00    +0.194 C 
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 8