REMARK  Name = BDB063596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.156  -0.922   0.104  0.00  0.00    -0.192 N 
ATOM      2  C   LIG    1        1.970   0.179  -0.139  0.00  0.00    +0.320 C 
ATOM      3  O   LIG    1        1.606   1.285  -0.516  0.00  0.00    -0.251 OA
ATOM      4  N   LIG    1        3.300  -0.174   0.162  0.00  0.00    -0.246 N 
ATOM      5  C   LIG    1        3.361  -1.524   0.645  0.00  0.00    +0.212 C 
ATOM      6  C   LIG    1        1.921  -1.960   0.582  0.00  0.00    +0.245 C 
ATOM      7  O   LIG    1        1.586  -3.093   0.908  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1       -3.203  -3.195   0.870  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -2.450  -2.042   0.269  0.00  0.00    -0.007 A 
ATOM     10  C   LIG    1       -3.088  -1.011  -0.430  0.00  0.00    +0.128 A 
ATOM     11  C   LIG    1       -2.326  -0.023  -1.062  0.00  0.00    -0.007 A 
ATOM     12  C   LIG    1       -2.940   1.039  -1.929  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1       -0.930   0.002  -0.862  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -0.262  -0.965  -0.096  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -1.052  -1.988   0.449  0.00  0.00    +0.031 A 
BRANCH  10  16
ATOM     16  O   LIG    1       -4.449  -1.021  -0.583  0.00  0.00    -0.475 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -5.194  -0.361   0.458  0.00  0.00    +0.200 C 
ATOM     18  C   LIG    1       -6.224  -1.385   0.973  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1       -6.007   0.763  -0.212  0.00  0.00    +0.067 C 
BRANCH  17  20
ATOM     20  C   LIG    1       -4.446   0.213   1.692  0.00  0.00    +0.348 C 
ATOM     21  O   LIG    1       -4.287  -0.340   2.771  0.00  0.00    -0.247 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -3.915   1.439   1.494  0.00  0.00    -0.478 OA
ATOM     23  H   LIG    1       -3.420   1.618   2.320  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  14
BRANCH   4  24
ATOM     24  C   LIG    1        4.463   0.640   0.054  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        5.721   0.134   0.427  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        6.882   0.913   0.329  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        6.822   2.229  -0.141  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        5.577   2.737  -0.526  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        4.418   1.954  -0.426  0.00  0.00    +0.024 A 
BRANCH  27  30
ATOM     30  C   LIG    1        8.072   3.063  -0.268  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        7.842   4.399  -0.129  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.675   2.910  -1.478  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        9.017   2.751   0.663  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH   4  24
TORSDOF 7