REMARK  Name = BDB040083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.665   0.543  -1.812  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.263  -0.346  -1.239  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.540  -0.609  -1.787  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1       -1.846   0.064  -2.984  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.937   0.929  -3.591  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.307   1.166  -3.007  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        3.949  -0.202   2.720  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        4.384   0.644   1.563  0.00  0.00    -0.045 A 
ATOM      9  C   LIG    1        3.575   0.816   0.446  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1        2.225   0.253   0.145  0.00  0.00    +0.150 C 
ATOM     11  N   LIG    1        1.907   0.800  -1.170  0.00  0.00    -0.263 N 
ATOM     12  C   LIG    1        2.938   1.618  -1.640  0.00  0.00    +0.251 C 
ATOM     13  O   LIG    1        3.051   2.249  -2.675  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        3.989   1.617  -0.614  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        5.203   2.277  -0.621  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        6.027   2.117   0.492  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.621   1.311   1.573  0.00  0.00    +0.004 A 
ENDBRANCH   1  11
BRANCH   3  18
ATOM     18  C   LIG    1       -2.594  -1.604  -1.071  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1       -3.382  -2.545  -2.025  0.00  0.00    +0.177 C 
ATOM     20  O   LIG    1       -3.073  -3.702  -1.217  0.00  0.00    -0.378 OA
ATOM     21  C   LIG    1       -2.073  -2.946  -0.494  0.00  0.00    +0.177 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -3.515  -0.824  -0.118  0.00  0.00    +0.248 C 
ATOM     23  F   LIG    1       -4.634  -1.570   0.137  0.00  0.00    -0.236 F 
BRANCH  22  24
ATOM     24  C   LIG    1       -2.897  -0.426   1.184  0.00  0.00    +0.168 A 
ATOM     25  N   LIG    1       -3.606   0.092   2.240  0.00  0.00    -0.318 N 
ATOM     26  C   LIG    1       -5.021   0.338   2.307  0.00  0.00    +0.151 C 
ATOM     27  C   LIG    1       -2.704   0.315   3.233  0.00  0.00    +0.224 A 
ATOM     28  N   LIG    1       -1.509  -0.044   2.829  0.00  0.00    -0.138 NA
ATOM     29  N   LIG    1       -1.632  -0.517   1.547  0.00  0.00    -0.132 NA
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH   3  18
TORSDOF 4