REMARK  Name = BDB051796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.277   1.691   0.641  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -2.316   0.772   0.189  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.159   0.532   0.941  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.967   1.191   2.152  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        0.120   0.956   2.901  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -1.900   2.119   2.602  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -3.046   2.376   1.846  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.201  -0.484   0.473  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        1.138  -0.141   0.301  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        1.597   1.230   0.040  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        3.043   1.452   0.499  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        3.955   0.407   0.019  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1        5.302   0.758  -0.168  0.00  0.00    +0.236 C 
ATOM     14  O   LIG    1        5.639   1.950  -0.095  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1        3.489  -0.963   0.257  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        2.039  -1.182  -0.194  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1       -0.644  -1.610   0.253  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     18  C   LIG    1        6.355  -0.391  -0.530  0.00  0.00    +0.095 C 
ATOM     19  N   LIG    1        7.561   0.201  -1.204  0.00  0.00    -0.303 NA
ATOM     20  H   LIG    1        7.388   1.166  -1.503  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1        7.502  -0.797  -2.274  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1        6.093  -1.186  -1.839  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1        6.821  -1.193   0.687  0.00  0.00    +0.037 C 
ENDBRANCH  13  18
ENDBRANCH   3   8
BRANCH   1  24
ATOM     24  C   LIG    1       -4.519   1.991  -0.170  0.00  0.00    +0.092 C 
BRANCH  24  34
ATOM     25  C   LIG    1       -6.068   0.136   1.592  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -5.945  -0.193   0.134  0.00  0.00    -0.019 A 
ATOM     27  C   LIG    1       -6.470  -1.285  -0.457  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -7.210  -2.399   0.226  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1       -6.325  -1.469  -1.930  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -6.811  -2.434  -2.513  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -5.632  -0.500  -2.598  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -5.523  -0.618  -3.599  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -5.061   0.598  -2.044  0.00  0.00    -0.175 NA
ATOM     34  C   LIG    1       -5.196   0.756  -0.762  0.00  0.00    +0.069 A 
ENDBRANCH  24  34
ENDBRANCH   1  24
TORSDOF 4