REMARK  Name = BDB041266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.015   0.310   0.284  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -1.429   0.134   0.496  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -2.004   1.550   0.676  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1       -0.775   2.457   0.610  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        0.373   1.541   0.988  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        0.792  -0.859   0.696  0.00  0.00    +0.119 C 
BRANCH   6  16
ATOM      7  C   LIG    1        7.231  -0.523   0.031  0.00  0.00    +0.106 A 
ATOM      8  C   LIG    1        6.930  -0.630   1.527  0.00  0.00    +0.271 A 
ATOM      9  O   LIG    1        7.830  -0.639   2.353  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1        5.602  -0.712   1.863  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1        5.380  -0.782   2.845  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        4.599  -0.698   0.889  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        4.963  -0.599  -0.463  0.00  0.00    +0.088 A 
ATOM     14  C   LIG    1        3.956  -0.584  -1.427  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        2.612  -0.666  -1.051  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        2.250  -0.764   0.301  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1        3.260  -0.781   1.275  0.00  0.00    +0.032 A 
ATOM     18  N   LIG    1        6.303  -0.516  -0.881  0.00  0.00    -0.245 NA
BRANCH   7  20
ATOM     19  C   LIG    1        9.290  -1.843  -0.428  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1        8.683  -0.453  -0.374  0.00  0.00    +0.057 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   3  21
ATOM     21  O   LIG    1       -2.900   1.930  -0.366  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.195   1.514  -0.298  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1       -5.038   1.993  -1.298  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1       -6.354   1.693  -1.406  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1       -6.865   0.867  -0.464  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1       -6.106   0.332   0.574  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1       -4.751   0.663   0.653  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -8.321   0.536  -0.582  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1       -8.648  -0.798  -0.374  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1       -7.905  -1.482  -0.438  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1       -9.996  -1.251  -0.607  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1       -9.151   1.395  -0.853  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6