REMARK  Name = BDB023530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.496  -0.037  -0.488  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -0.234   0.874   0.413  0.00  0.00    +0.194 C 
ATOM      3  C   LIG    1       -1.651   0.374   0.251  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.710  -0.646  -0.685  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -2.886  -1.290  -1.044  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -4.082  -0.893  -0.425  0.00  0.00    -0.013 A 
ATOM      7  C   LIG    1       -4.019   0.140   0.547  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -2.813   0.765   0.876  0.00  0.00    +0.132 A 
ATOM      9  F   LIG    1       -2.808   1.737   1.796  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -0.360  -0.871  -1.190  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1       -0.097  -1.641  -2.094  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -0.169   2.362   0.024  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -0.240   3.368   1.007  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -0.215   4.723   0.661  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.136   5.094  -0.677  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.106   6.759  -1.104  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.092   4.122  -1.672  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.119   2.768  -1.326  0.00  0.00    +0.010 A 
ENDBRANCH   2  12
BRANCH   6  19
ATOM     19  C   LIG    1       -5.426  -1.550  -0.733  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -5.827  -2.496   0.404  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -5.484  -2.301  -2.070  0.00  0.00    +0.046 C 
BRANCH  19  22
ATOM     22  O   LIG    1       -6.425  -0.524  -0.810  0.00  0.00    -0.385 OA
ATOM     23  H   LIG    1       -6.089   0.160  -1.415  0.00  0.00    +0.211 HD
ENDBRANCH  19  22
ENDBRANCH   6  19
BRANCH   2  24
ATOM     24  O   LIG    1        0.065   0.590   1.781  0.00  0.00    -0.351 OA
ATOM     25  C   LIG    1        1.394   0.789   2.223  0.00  0.00    +0.197 C 
ENDBRANCH   2  24
BRANCH   1  26
ATOM     26  C   LIG    1        1.883   0.151  -0.907  0.00  0.00    +0.152 C 
BRANCH  26  28
ATOM     27  C   LIG    1        4.136  -0.356   0.126  0.00  0.00    +0.219 A 
ATOM     28  C   LIG    1        2.877  -0.797  -0.286  0.00  0.00    +0.031 A 
ATOM     29  C   LIG    1        2.621  -2.166  -0.155  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1        3.581  -3.010   0.399  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        4.793  -2.470   0.804  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        5.847  -3.349   1.405  0.00  0.00    +0.066 C 
ATOM     33  N   LIG    1        5.080  -1.155   0.674  0.00  0.00    -0.218 NA
BRANCH  27  35
ATOM     34  C   LIG    1        5.735   1.341   0.385  0.00  0.00    +0.279 C 
ATOM     35  O   LIG    1        4.415   0.990  -0.021  0.00  0.00    -0.479 OA
ENDBRANCH  27  35
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 7