REMARK  Name = BDB006911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.190  -0.914  -0.976  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.015  -1.591  -0.852  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.315  -1.182  -0.494  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        2.166  -2.287  -0.485  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.498  -2.120  -0.168  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.021  -0.917   0.137  0.00  0.00    -0.251 NA
ATOM      7  C   LIG    1        3.179   0.150   0.122  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        1.448  -3.566  -0.825  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.379  -4.492   0.396  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        2.088  -4.292  -2.012  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.822   0.066  -0.193  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        0.049  -3.025  -1.190  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -2.184  -1.519  -1.395  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        3.762   1.493   0.414  0.00  0.00    +0.211 C 
ATOM     15  O   LIG    1        3.122   2.502   0.113  0.00  0.00    -0.285 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.098   1.660   1.046  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        5.850   2.793   0.704  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        7.098   3.014   1.289  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.597   2.111   2.226  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.846   0.992   2.586  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.596   0.769   2.003  0.00  0.00    +0.012 A 
ENDBRANCH  14  16
ENDBRANCH   7  14
BRANCH   1  22
ATOM     22  C   LIG    1       -1.254   0.565  -0.567  0.00  0.00    +0.181 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.530   0.555   0.424  0.00  0.00    +0.097 C 
ATOM     24  N   LIG    1       -2.601   1.173  -0.553  0.00  0.00    -0.286 NA
ATOM     25  C   LIG    1       -3.189   1.345  -1.887  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -4.600   1.991  -1.810  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1       -5.184   2.163  -3.214  0.00  0.00    +0.025 C 
ATOM     28  N   LIG    1       -5.564   1.277  -0.950  0.00  0.00    -0.311 NA
ATOM     29  H   LIG    1       -6.317   0.874  -1.503  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1       -4.920   0.199  -0.179  0.00  0.00    +0.102 C 
BRANCH  23  31
ATOM     31  C   LIG    1       -3.692   1.510   1.628  0.00  0.00    +0.179 C 
BRANCH  31  33
ATOM     32  C   LIG    1       -4.560   1.688   3.812  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1       -4.316   0.816   2.716  0.00  0.00    -0.381 OA
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6