REMARK  Name = BDB041268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.536   1.037  -0.094  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.769   1.594   0.295  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -1.802   0.899  -0.610  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1       -0.958   0.095  -1.596  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        0.415   0.740  -1.523  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        1.640   1.945   0.231  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1        7.236  -1.378  -0.111  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        6.227  -2.232   0.598  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1        6.502  -3.356   1.006  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        4.973  -1.704   0.773  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1        4.303  -2.294   1.248  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        4.607  -0.434   0.314  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        5.537   0.359  -0.355  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1        5.269   1.593  -0.831  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        4.011   2.050  -0.627  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        3.003   1.333   0.021  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        3.324   0.061   0.509  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        6.884  -0.161  -0.564  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1        9.460  -1.895   0.942  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        8.607  -1.960  -0.318  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   3  21
ATOM     21  O   LIG    1       -2.622   0.028   0.174  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.960   0.061  -0.101  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1       -4.854  -0.040   0.974  0.00  0.00    +0.081 A 
ATOM     24  C   LIG    1       -4.345  -0.174   2.379  0.00  0.00    +0.069 C 
ATOM     25  N   LIG    1       -6.203  -0.023   0.818  0.00  0.00    -0.244 NA
ATOM     26  C   LIG    1       -6.675   0.077  -0.457  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1       -5.862   0.146  -1.579  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1       -4.481   0.129  -1.393  0.00  0.00    +0.050 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -8.166   0.104  -0.612  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1       -8.860   0.045   0.579  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -8.298  -0.132   1.407  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1      -10.289  -0.098   0.628  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1       -8.694   0.164  -1.716  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6