REMARK  Name = BDB057378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.731   0.844   0.615  0.00  0.00    +0.071 C 
ATOM      2  C   LIG    1       -3.508   0.038   0.343  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1       -2.635   0.782  -0.436  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.383   0.321  -0.802  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1       -1.001  -0.949  -0.370  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -1.880  -1.705   0.429  0.00  0.00    +0.046 A 
ATOM      7  O   LIG    1       -3.119   2.017  -0.784  0.00  0.00    -0.491 OA
ATOM      8  C   LIG    1       -3.137  -1.213   0.799  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -4.520   1.941  -0.443  0.00  0.00    +0.238 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -6.065   0.129   0.413  0.00  0.00    +0.132 C 
BRANCH  10  12
ATOM     11  O   LIG    1       -5.990  -0.609   2.724  0.00  0.00    -0.251 OA
ATOM     12  C   LIG    1       -6.450  -0.720   1.600  0.00  0.00    +0.305 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -7.415  -1.621   1.304  0.00  0.00    -0.481 OA
ATOM     14  H   LIG    1       -7.712  -1.606   0.375  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  O   LIG    1        0.189  -1.570  -0.632  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        1.146  -0.906  -1.455  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.033   0.040  -0.652  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.719  -0.667   0.515  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.600   0.232   1.194  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.899   0.325   0.780  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        5.454  -0.281  -0.347  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1        6.805  -0.083  -0.645  0.00  0.00    +0.021 A 
ATOM     23 BR   LIG    1        7.553  -0.905  -2.177  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1        7.609   0.713   0.168  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        7.056   1.322   1.291  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.706   1.128   1.591  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 9