REMARK  Name = BDB006933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.258   0.105  -1.032  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.376   0.487  -0.029  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.026   0.373  -0.082  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        1.592   0.850   1.096  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        2.962   0.819   1.235  0.00  0.00    +0.120 A 
ATOM      6  N   LIG    1        3.776   0.341   0.272  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1        3.192  -0.116  -0.868  0.00  0.00    +0.222 A 
ATOM      8  C   LIG    1        0.553   1.367   2.052  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        0.626   0.668   3.413  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.675   2.886   2.223  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.823  -0.120  -1.095  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1       -0.754   0.997   1.302  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.905  -0.370  -2.115  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.759   0.319  -0.749  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.623  -0.321   0.745  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -3.262  -0.664   0.245  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -3.346  -2.018  -0.368  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -4.632  -2.338  -1.204  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -5.466  -3.442  -0.544  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -5.478  -1.177  -1.506  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -6.357  -1.452  -1.939  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -5.713  -0.285  -0.362  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -4.684   0.916   1.674  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.682   3.270   1.823  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -4.640   2.147   0.954  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  O   LIG    1        3.973  -0.623  -1.907  0.00  0.00    -0.437 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.336  -0.623  -1.707  0.00  0.00    +0.136 A 
ATOM     28  C   LIG    1        5.952  -1.763  -1.161  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1        5.144  -2.948  -0.718  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1        7.342  -1.760  -0.990  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        8.102  -0.659  -1.385  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.484   0.452  -1.959  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1        6.096   0.478  -2.142  0.00  0.00    -0.008 A 
ATOM     34  C   LIG    1        5.442   1.686  -2.748  0.00  0.00    +0.047 C 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6