REMARK  Name = BDB040851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.993  -0.422   0.741  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.528  -0.919   2.047  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.202  -1.698   1.889  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.088  -0.898   1.334  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.586   0.136   0.400  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.951  -0.157  -0.268  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        7.026   0.216  -0.114  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        6.178   0.075  -1.160  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.877  -0.132  -0.843  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.064  -0.304  -1.900  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        4.336  -0.213   0.461  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        5.278  -0.059   1.489  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        6.629   0.156   1.212  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       10.061   0.617  -2.331  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.726   0.524  -1.806  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.942   0.331  -2.425  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.468   0.444  -0.454  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        9.322   0.537   0.419  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -0.915  -1.783   0.723  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.238  -1.095   0.456  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -2.882  -0.368   1.466  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.106   0.254   1.213  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -4.723   0.161  -0.039  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -6.012   0.856  -0.266  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -6.614   0.733  -1.647  0.00  0.00    +0.036 C 
ATOM     26  C   LIG    1       -6.238  -0.573  -2.343  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -4.724  -0.728  -2.412  0.00  0.00    +0.036 C 
ATOM     28  C   LIG    1       -6.580   1.554   0.743  0.00  0.00    +0.018 A 
ATOM     29  C   LIG    1       -5.920   1.618   2.089  0.00  0.00    +0.252 A 
ATOM     30  O   LIG    1       -6.427   2.224   3.029  0.00  0.00    -0.268 OA
ATOM     31  C   LIG    1       -7.854   2.345   0.655  0.00  0.00    +0.049 C 
ATOM     32  C   LIG    1       -4.100  -0.595  -1.048  0.00  0.00    -0.038 A 
ATOM     33  N   LIG    1       -4.725   0.978   2.232  0.00  0.00    -0.322 N 
ATOM     34  H   LIG    1       -4.296   1.045   3.145  0.00  0.00    +0.169 HD
ATOM     35  C   LIG    1       -2.859  -1.206  -0.796  0.00  0.00    +0.009 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4