REMARK  Name = BDB018462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.131  -0.585   1.092  0.00  0.00    -0.238 N 
ATOM      2  N   LIG    1        0.174  -1.216   1.806  0.00  0.00    -0.174 NA
ATOM      3  C   LIG    1       -0.959  -0.569   1.536  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.761   0.502   0.653  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        0.591   0.477   0.388  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.712   1.439   0.132  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.962   1.000  -0.511  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -3.837   1.911  -0.975  0.00  0.00    +0.079 A 
ATOM      9  C   LIG    1       -3.578   3.365  -0.852  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -4.412   4.159  -1.277  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -2.376   3.714  -0.251  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1       -2.044   5.120  -0.087  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -1.486   2.765   0.222  0.00  0.00    +0.098 A 
BRANCH   7  14
ATOM     14  C   LIG    1       -3.333  -0.414  -0.740  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.667  -1.165  -1.721  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -3.009  -2.502  -1.934  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -4.014  -3.083  -1.170  0.00  0.00    +0.123 A 
ATOM     18  F   LIG    1       -4.343  -4.364  -1.378  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -4.685  -2.354  -0.195  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -4.346  -1.017   0.022  0.00  0.00    +0.011 A 
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  23
ATOM     21  C   LIG    1        4.785  -0.743   0.291  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        3.439  -0.358   0.314  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1        2.490  -1.025   1.118  0.00  0.00    +0.086 A 
ATOM     24  C   LIG    1        2.921  -2.105   1.916  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        4.279  -2.480   1.881  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        5.203  -1.808   1.078  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.951  -0.348  -0.610  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        5.574   0.003  -0.539  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
BRANCH  24  29
ATOM     29  C   LIG    1        2.086  -2.879   2.798  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1        1.516  -3.564   3.542  0.00  0.00    -0.191 NA
ENDBRANCH  24  29
ENDBRANCH   1  23
TORSDOF 5