REMARK  Name = BDB014736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.977  -4.161  -2.741  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.165  -3.231  -2.705  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.009  -2.028  -2.027  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.682  -1.523  -1.615  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.818  -0.442  -0.603  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.843   0.252   0.160  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.428   1.160   0.948  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.749   1.045   0.716  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.025   0.111  -0.233  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.343  -0.295  -0.779  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.114  -1.049  -2.104  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.218  -3.559  -3.251  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.680   1.882   1.431  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -3.473   1.946   2.934  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -4.116   3.157   3.376  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -4.328   3.996   2.230  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -3.626   3.348   1.056  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.479  -0.015   0.053  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.778  -0.742  -0.590  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.612   0.547   0.693  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        2.883   0.028   0.369  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1        2.930  -0.963  -0.543  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        4.066   0.517   0.944  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        3.966   1.561   1.871  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        2.718   2.088   2.211  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        1.553   1.583   1.626  0.00  0.00    +0.026 A 
BRANCH  23  27
ATOM     27  C   LIG    1        5.373  -0.018   0.601  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        5.642  -1.331   0.278  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        6.985  -1.405   0.046  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        7.739  -2.576  -0.330  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        7.621  -0.231   0.207  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.640   0.610   0.545  0.00  0.00    +0.143 A 
ENDBRANCH  23  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4