REMARK  Name = BDB046378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.395  -0.277  -0.129  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.228  -0.459   0.621  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.335  -1.512   0.341  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -0.623  -2.395  -0.716  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1       -1.789  -2.212  -1.465  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.667  -1.163  -1.174  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1        0.296  -3.387  -0.940  0.00  0.00    -0.495 OA
ATOM      8  C   LIG    1        0.011  -4.328  -1.967  0.00  0.00    +0.277 C 
ENDBRANCH   4   7
BRANCH   1   9
ATOM      9  C   LIG    1       -3.350   0.849   0.195  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.182   0.592   1.462  0.00  0.00    +0.102 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -4.230   2.976   2.384  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -5.045   1.801   1.863  0.00  0.00    +0.011 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -5.090  -0.606   1.297  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -5.215  -1.522   2.093  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.849  -0.569   0.185  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -6.388  -1.386   0.250  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        0.916  -1.649   1.183  0.00  0.00    +0.120 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.944  -0.650   0.876  0.00  0.00    -0.308 NA
ATOM     19  H   LIG    1        1.511   0.268   0.800  0.00  0.00    +0.123 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.637  -0.948  -0.376  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.691   0.099  -0.656  0.00  0.00    -0.034 A 
ATOM     22  C   LIG    1        3.486   1.076  -1.639  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.458   2.048  -1.887  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        5.656   2.062  -1.156  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        5.852   1.095  -0.160  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        4.880   0.123   0.086  0.00  0.00    +0.005 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.694   3.127  -1.408  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        6.481   4.246  -0.662  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        6.728   3.544  -2.705  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        7.962   2.721  -1.118  0.00  0.00    -0.166 F 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 11