REMARK  Name = BDB047761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.449   1.139  -1.453  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.617   0.781  -0.542  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -2.593   0.060  -1.301  0.00  0.00    -0.491 OA
BRANCH   3   7
ATOM      4  N   LIG    1       -6.517   0.822   1.129  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1       -5.613  -0.177   0.823  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -4.639   0.396  -0.005  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.580  -0.419  -0.463  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -3.547  -1.777  -0.133  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.528  -2.322   0.689  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -5.000   1.759  -0.194  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -5.571  -1.534   1.188  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -6.149   1.997   0.524  0.00  0.00    +0.087 A 
BRANCH   4  13
ATOM     13  C   LIG    1       -7.665   0.679   2.013  0.00  0.00    +0.242 C 
BRANCH  13  15
ATOM     14  O   LIG    1       -9.060  -0.073   0.134  0.00  0.00    -0.249 OA
ATOM     15  C   LIG    1       -8.860   0.075   1.327  0.00  0.00    +0.325 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -9.811  -0.299   2.214  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1      -10.530  -0.655   1.649  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   4  13
ENDBRANCH   3   7
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.214  -0.101  -2.048  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.355   0.268  -2.827  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.575   0.352  -2.218  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.637   0.610  -3.090  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        4.944   0.726  -2.610  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        5.200   0.572  -1.246  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        4.138   0.341  -0.364  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        2.830   0.227  -0.852  0.00  0.00    +0.046 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.597   0.711  -0.765  0.00  0.00    +0.193 C 
ATOM     27  O   LIG    1        7.342   1.522  -1.308  0.00  0.00    -0.287 OA
BRANCH  26  28
ATOM     28  C   LIG    1        7.117  -0.110   0.358  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        8.074   0.459   1.211  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        8.597  -0.285   2.270  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        8.172  -1.595   2.462  0.00  0.00    +0.123 A 
ATOM     32  F   LIG    1        8.674  -2.310   3.477  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        7.238  -2.178   1.611  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1        6.711  -1.438   0.550  0.00  0.00    +0.014 A 
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11