REMARK  Name = BDB051500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.325  -1.417  -0.304  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1       -0.066  -2.201   1.010  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1        0.450  -1.787   2.041  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -0.512  -3.473   0.801  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -0.483  -4.508   1.808  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1       -0.949  -3.573  -0.465  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1       -0.882  -2.507  -1.191  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.275   1.805   0.011  0.00  0.00    +0.123 A 
ATOM      9  C   LIG    1       -2.511   1.452   1.135  0.00  0.00    -0.008 A 
ATOM     10  C   LIG    1       -2.684   2.182   2.440  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -1.568   0.412   1.041  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -1.374  -0.298  -0.156  0.00  0.00    -0.006 A 
ATOM     13  C   LIG    1       -2.143   0.085  -1.268  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -3.084   1.117  -1.187  0.00  0.00    +0.046 A 
BRANCH   8  16
ATOM     15  C   LIG    1       -4.951   3.220  -0.925  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -4.167   2.830   0.194  0.00  0.00    -0.495 OA
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  C   LIG    1        0.991  -0.851  -0.882  0.00  0.00    -0.006 A 
ATOM     18  C   LIG    1        1.802   0.017  -0.117  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        2.994   0.575  -0.621  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        3.359   0.232  -1.929  0.00  0.00    +0.131 A 
ATOM     21  F   LIG    1        4.480   0.732  -2.473  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        2.577  -0.613  -2.711  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        1.398  -1.146  -2.194  0.00  0.00    +0.009 A 
BRANCH  19  24
ATOM     24  C   LIG    1        3.812   1.481   0.198  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        3.275   2.504   0.965  0.00  0.00    +0.122 A 
ATOM     26  N   LIG    1        3.994   3.350   1.737  0.00  0.00    -0.243 NA
ATOM     27  C   LIG    1        5.319   3.154   1.729  0.00  0.00    +0.221 A 
ATOM     28  N   LIG    1        5.970   2.211   1.035  0.00  0.00    -0.243 NA
ATOM     29  C   LIG    1        5.193   1.399   0.283  0.00  0.00    +0.122 A 
ENDBRANCH  19  24
ENDBRANCH   1  17
BRANCH   6  30
ATOM     30  N   LIG    1       -1.421  -4.738  -0.966  0.00  0.00    -0.331 N 
ATOM     31  H   LIG    1       -1.010  -5.592  -0.614  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1       -1.506  -4.724  -1.978  0.00  0.00    +0.145 HD
ENDBRANCH   6  30
TORSDOF 5