REMARK  Name = BDB034608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.981  -0.673  -1.568  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1        0.143  -0.461  -0.735  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.432  -0.268  -1.244  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        1.620  -0.285  -2.626  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.537  -0.480  -3.480  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.742  -0.666  -2.955  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.466  -0.882  -0.954  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1       -3.350  -1.978  -1.605  0.00  0.00    +0.177 C 
ATOM      9  O   LIG    1       -3.594  -2.606  -0.323  0.00  0.00    -0.378 OA
ATOM     10  C   LIG    1       -2.558  -1.810   0.288  0.00  0.00    +0.177 C 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.134   0.494  -0.804  0.00  0.00    +0.248 C 
ATOM     12  F   LIG    1       -3.223   1.044  -2.055  0.00  0.00    -0.236 F 
BRANCH  11  15
ATOM     13  C   LIG    1       -3.822   1.690   1.996  0.00  0.00    +0.151 C 
ATOM     14  N   LIG    1       -4.745   1.074   1.081  0.00  0.00    -0.318 N 
ATOM     15  C   LIG    1       -4.479   0.539  -0.156  0.00  0.00    +0.168 A 
ATOM     16  N   LIG    1       -5.618   0.115  -0.671  0.00  0.00    -0.132 NA
ATOM     17  N   LIG    1       -6.622   0.351   0.236  0.00  0.00    -0.138 NA
ATOM     18  C   LIG    1       -6.083   0.928   1.282  0.00  0.00    +0.224 A 
ENDBRANCH  11  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        2.566  -0.056  -0.443  0.00  0.00    -0.279 N 
ATOM     20  H   LIG    1        3.462   0.049  -0.915  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        2.648   0.039   0.932  0.00  0.00    +0.284 C 
ATOM     22  O   LIG    1        1.714  -0.027   1.725  0.00  0.00    -0.267 OA
BRANCH  21  23
ATOM     23  C   LIG    1        4.016   0.243   1.379  0.00  0.00    +0.195 A 
ATOM     24  N   LIG    1        4.397   0.354   2.692  0.00  0.00    -0.340 N 
ATOM     25  H   LIG    1        3.762   0.303   3.479  0.00  0.00    +0.167 HD
ATOM     26  C   LIG    1        5.750   0.538   2.725  0.00  0.00    +0.117 A 
ATOM     27  C   LIG    1        6.168   0.534   1.404  0.00  0.00    +0.162 A 
ATOM     28  N   LIG    1        5.063   0.348   0.576  0.00  0.00    -0.220 NA
BRANCH  27  29
ATOM     29  C   LIG    1        7.563   0.696   0.862  0.00  0.00    +0.436 C 
ATOM     30  F   LIG    1        7.674   1.785   0.057  0.00  0.00    -0.164 F 
ATOM     31  F   LIG    1        8.480   0.852   1.855  0.00  0.00    -0.164 F 
ATOM     32  F   LIG    1        7.958  -0.380   0.133  0.00  0.00    -0.164 F 
ENDBRANCH  27  29
ENDBRANCH  21  23
ENDBRANCH   3  19
TORSDOF 6