REMARK  Name = BDB034496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.284   1.336  -2.314  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.222   0.963  -1.385  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        0.063   0.811  -1.927  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1        0.254   0.799  -3.145  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.268   0.663  -1.044  0.00  0.00    +0.128 A 
ATOM      6  N   LIG    1        1.229   1.226   0.193  0.00  0.00    -0.248 NA
ATOM      7  C   LIG    1        2.348   1.120   0.956  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1        3.518   0.490   0.557  0.00  0.00    +0.108 A 
ATOM      9  N   LIG    1        4.632   0.433   1.425  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        5.726  -0.165   1.032  0.00  0.00    +0.143 A 
ATOM     11  C   LIG    1        5.779  -0.749  -0.277  0.00  0.00    +0.106 A 
ATOM     12  N   LIG    1        4.700  -0.686  -1.121  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        5.053  -1.316  -2.283  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1        6.283  -1.784  -2.224  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1        6.740  -1.443  -0.974  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1        3.511  -0.060  -0.731  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1        2.391   0.019  -1.555  0.00  0.00    +0.061 A 
BRANCH  10  18
ATOM     18  N   LIG    1        6.775  -0.187   1.904  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1        6.656   0.477   2.661  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        7.698  -0.158   1.490  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1       -1.571   0.644   0.009  0.00  0.00    +0.113 C 
ATOM     22  C   LIG    1       -2.847  -0.148   0.201  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -3.532   0.320   1.329  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -4.716  -0.268   1.750  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1       -5.228  -1.354   1.021  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1       -4.511  -1.840  -0.096  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -2.764   1.431   1.979  0.00  0.00    +0.276 C 
ATOM     28  F   LIG    1       -1.998   1.005   3.015  0.00  0.00    -0.200 F 
ATOM     29  F   LIG    1       -3.522   2.454   2.441  0.00  0.00    -0.200 F 
ATOM     30  C   LIG    1       -3.313  -1.246  -0.504  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -1.868   1.907   0.842  0.00  0.00    +0.108 C 
BRANCH  25  32
ATOM     32  C   LIG    1       -6.505  -2.035   1.457  0.00  0.00    +0.417 C 
ATOM     33  F   LIG    1       -6.273  -3.072   2.307  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -7.214  -2.554   0.416  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -7.361  -1.200   2.108  0.00  0.00    -0.166 F 
ENDBRANCH  25  32
ENDBRANCH   2  21
TORSDOF 4