REMARK  Name = BDB041261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.403  -0.191   1.262  0.00  0.00    -0.298 NA
ATOM      2  C   LIG    1       -0.854  -0.110   2.021  0.00  0.00    +0.088 C 
ATOM      3  C   LIG    1       -2.073   0.168   1.149  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1       -2.275  -0.937   0.103  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -0.941  -1.577  -0.306  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1        0.211  -0.588  -0.146  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.187   1.051   1.373  0.00  0.00    +0.121 C 
BRANCH   7  17
ATOM      8  C   LIG    1        7.392  -0.233  -0.142  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        6.947  -1.223   0.894  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1        7.695  -2.097   1.319  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1        5.658  -1.112   1.351  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1        5.373  -1.785   2.048  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1        4.762  -0.143   0.886  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        5.166   0.769  -0.086  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1        4.367   1.733  -0.591  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        3.107   1.782  -0.100  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        2.603   0.914   0.870  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        3.465  -0.068   1.374  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        6.529   0.693  -0.600  0.00  0.00    +0.038 A 
BRANCH   8  21
ATOM     20  C   LIG    1        9.820   0.221   0.318  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1        8.801  -0.358  -0.653  0.00  0.00    +0.037 C 
ENDBRANCH   8  21
ENDBRANCH   7  17
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  O   LIG    1       -2.857  -0.372  -1.082  0.00  0.00    -0.487 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.207  -0.196  -1.145  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1       -5.149  -0.491  -0.166  0.00  0.00    +0.157 A 
ATOM     25  N   LIG    1       -6.483  -0.283  -0.299  0.00  0.00    -0.247 NA
ATOM     26  C   LIG    1       -6.897   0.249  -1.484  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1       -6.037   0.578  -2.522  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1       -4.674   0.349  -2.341  0.00  0.00    +0.049 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -8.371   0.482  -1.632  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1       -9.119   0.074  -0.548  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -8.593  -0.247   0.261  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1      -10.530   0.326  -0.447  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1       -8.841   1.001  -2.638  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6