REMARK  Name = BDB045590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.253  -0.287  -0.590  0.00  0.00    +0.000 A 
ATOM      2  C   LIG    1        0.637   0.761   0.255  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1        1.986   0.979   0.563  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        2.986   0.159   0.022  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        2.596  -0.880  -0.836  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        1.250  -1.099  -1.143  0.00  0.00    +0.000 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.413   0.344   0.313  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1        4.930   1.345   1.103  0.00  0.00    +0.000 N 
ATOM      9  H   LIG    1        4.395   2.059   1.569  0.00  0.00    +0.000 HD
ATOM     10  C   LIG    1        6.295   1.213   1.157  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        6.570   0.111   0.353  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        7.910  -0.290   0.200  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        8.920   0.433   0.863  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        8.603   1.534   1.661  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.277   1.950   1.825  0.00  0.00    +0.000 A 
ATOM     16  N   LIG    1        5.396  -0.415  -0.137  0.00  0.00    +0.000 NA
BRANCH  12  17
ATOM     17  C   LIG    1        8.257  -1.440  -0.655  0.00  0.00    +0.000 C 
ATOM     18  O   LIG    1        7.786  -1.613  -1.770  0.00  0.00    +0.000 OA
ATOM     19  N   LIG    1        9.168  -2.321  -0.131  0.00  0.00    +0.000 N 
ATOM     20  H   LIG    1        9.346  -2.351   0.863  0.00  0.00    +0.000 HD
ATOM     21  H   LIG    1        9.287  -3.179  -0.654  0.00  0.00    +0.000 HD
ENDBRANCH  12  17
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1       -1.196  -0.509  -0.966  0.00  0.00    +0.000 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.041  -0.155   0.121  0.00  0.00    +0.000 OA
BRANCH  23  24
ATOM     24 SI   LIG    1       -3.717  -0.211  -0.020  0.00  0.00    +0.000 Si
BRANCH  24  26
ATOM     25  C   LIG    1       -3.482   0.032   2.896  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -4.401  -0.592   1.835  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -5.844  -0.147   2.071  0.00  0.00    +0.000 C 
ENDBRANCH  24  26
BRANCH  24  28
ATOM     28  C   LIG    1       -4.393   1.542  -0.567  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -3.497   2.221  -1.612  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -5.845   1.557  -1.052  0.00  0.00    +0.000 C 
ENDBRANCH  24  28
BRANCH  24  31
ATOM     31  C   LIG    1       -4.308  -1.657  -1.195  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1       -5.747  -2.122  -0.947  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1       -4.115  -1.375  -2.691  0.00  0.00    +0.000 C 
ENDBRANCH  24  31
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 8