REMARK  Name = BDB062362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.625  -0.183   1.004  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.106   0.390  -0.137  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.163   1.108  -0.077  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1        1.131   2.032  -1.294  0.00  0.00    +0.070 C 
ATOM      5  C   LIG    1        0.346   1.222  -2.313  0.00  0.00    +0.186 C 
ATOM      6  F   LIG    1        1.191   0.344  -2.916  0.00  0.00    -0.244 F 
ATOM      7  C   LIG    1       -0.678   0.459  -1.478  0.00  0.00    +0.145 C 
ATOM      8  O   LIG    1       -0.077   0.030   2.092  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -1.896  -1.075   0.910  0.00  0.00    +0.072 C 
ATOM     10  C   LIG    1       -2.192  -1.715   2.296  0.00  0.00    +0.021 C 
ATOM     11  C   LIG    1       -2.985  -2.975   1.982  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -2.369  -3.504   0.697  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1       -1.570  -2.347   0.088  0.00  0.00    +0.021 C 
BRANCH   9  17
ATOM     14  C   LIG    1       -5.365   1.317  -0.266  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1       -4.505   1.740   0.745  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -3.404   0.963   1.116  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -3.126  -0.259   0.475  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1       -4.008  -0.676  -0.533  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -5.114   0.104  -0.902  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -7.342   1.750  -1.513  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -6.401   2.169  -0.532  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   9  17
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  C   LIG    1        2.368   0.130  -0.127  0.00  0.00    +0.238 C 
ATOM     23  N   LIG    1        3.571   0.771   0.140  0.00  0.00    -0.283 N 
ATOM     24  H   LIG    1        3.517   1.738   0.432  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        2.230  -1.061  -0.393  0.00  0.00    -0.273 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.869   0.212   0.123  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1        5.966   1.027   0.490  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        7.255   0.500   0.473  0.00  0.00    +0.068 A 
ATOM     29  N   LIG    1        8.078   1.521   0.873  0.00  0.00    -0.277 N 
ATOM     30  H   LIG    1        9.085   1.496   0.979  0.00  0.00    +0.189 HD
ATOM     31  N   LIG    1        7.435   2.670   1.143  0.00  0.00    -0.181 NA
ATOM     32  C   LIG    1        7.537  -0.817   0.108  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1        6.451  -1.614  -0.255  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        6.156   2.366   0.915  0.00  0.00    +0.144 A 
ATOM     35  C   LIG    1        5.145  -1.113  -0.249  0.00  0.00    +0.024 A 
ENDBRANCH  23  26
ENDBRANCH   3  22
TORSDOF 5