REMARK  Name = BDB064492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.011   0.252   1.625  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -3.490   1.901  -1.597  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -3.032   0.812  -0.666  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -3.726  -0.400  -0.505  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -3.129  -1.459   0.199  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -3.686  -2.855   0.211  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -1.940  -1.223   0.908  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.294   0.018   0.855  0.00  0.00    -0.033 A 
ATOM      9  C   LIG    1       -1.840   1.021   0.048  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -4.908  -0.598  -1.168  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -6.131  -0.256  -0.467  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -6.177   1.143   0.165  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -6.497  -1.302   0.594  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -7.209  -0.293  -1.562  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -8.247  -0.938  -1.552  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.941   0.507  -2.620  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -7.687   0.342  -3.234  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        1.087  -0.635   1.212  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        2.252  -0.513   2.114  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        3.383   0.426   1.632  0.00  0.00    +0.120 C 
ATOM     21  N   LIG    1        3.870   0.036   0.298  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1        2.944  -0.760  -0.525  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        1.478  -0.394  -0.197  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.179   0.271  -0.088  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        5.951   1.284   0.503  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        7.275   1.535   0.117  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        7.883   0.768  -0.880  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        7.129  -0.238  -1.490  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        5.805  -0.477  -1.097  0.00  0.00    +0.023 A 
BRANCH  27  30
ATOM     30  C   LIG    1        9.299   1.047  -1.315  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        9.946  -0.060  -1.776  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        9.362   1.962  -2.321  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       10.080   1.540  -0.313  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8