REMARK  Name = BDB007085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.600  -1.582   0.673  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.204  -2.567   0.081  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.603  -2.399   0.051  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        2.668  -3.187  -0.460  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        3.843  -2.523  -0.197  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        3.533  -1.349   0.446  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1        2.165  -1.252   0.624  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.372  -0.269   1.238  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.016  -0.453   1.256  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -2.852  -0.656   0.679  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1       -2.416   0.226   0.447  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -2.074  -1.794   0.681  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -2.535  -2.929   0.654  0.00  0.00    -0.270 OA
BRANCH  10  15
ATOM     14  C   LIG    1       -4.937  -1.194   1.892  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -4.301  -0.728   0.578  0.00  0.00    +0.100 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.843   0.621   0.128  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1       -4.822   1.743   0.974  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1       -5.304   2.978   0.532  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -5.804   3.102  -0.762  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -6.454   4.773  -1.361  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -5.823   2.005  -1.619  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -5.341   0.770  -1.176  0.00  0.00    +0.006 A 
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  C   LIG    1        4.531  -0.386   0.899  0.00  0.00    +0.159 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.022   0.475  -0.235  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        6.271   0.226  -0.817  0.00  0.00    +0.131 A 
ATOM     26  F   LIG    1        7.034  -0.773  -0.351  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        6.748   0.994  -1.872  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1        5.962   2.027  -2.357  0.00  0.00    +0.126 A 
ATOM     29  F   LIG    1        6.409   2.776  -3.374  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        4.714   2.300  -1.806  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        4.241   1.524  -0.745  0.00  0.00    +0.011 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 5