REMARK  Name = BDB018737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.542  -0.398   1.979  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -3.234  -0.578   1.277  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -3.335   0.213  -0.041  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -3.612  -0.762  -1.187  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -4.739  -1.001  -1.615  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -2.531  -1.448  -1.678  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -2.739  -2.189  -2.336  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -1.203  -1.111  -1.407  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -0.920   0.071  -0.719  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        0.415   0.420  -0.471  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        1.471  -0.406  -0.894  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1        1.154  -1.585  -1.589  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.174  -1.935  -1.852  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -2.050   0.993  -0.346  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -4.513   1.161   0.200  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -5.453   0.362   1.089  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.872  -0.038  -0.626  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        3.308   0.248   0.679  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        4.636   0.600   0.952  0.00  0.00    +0.131 A 
ATOM     20  C   LIG    1        5.550   0.669  -0.098  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        5.138   0.388  -1.402  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.812   0.038  -1.663  0.00  0.00    +0.009 A 
BRANCH  19  23
ATOM     23  O   LIG    1        4.895   0.844   2.271  0.00  0.00    -0.406 OA
BRANCH  23  24
ATOM     24  C   LIG    1        6.218   1.201   2.631  0.00  0.00    +0.575 C 
ATOM     25  F   LIG    1        7.090   0.218   2.319  0.00  0.00    -0.133 F 
ATOM     26  F   LIG    1        6.266   1.396   3.967  0.00  0.00    -0.133 F 
ATOM     27  F   LIG    1        6.596   2.348   2.026  0.00  0.00    -0.133 F 
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  29
ATOM     28  N   LIG    1       -5.323  -1.875   3.834  0.00  0.00    -0.174 NA
ATOM     29  C   LIG    1       -4.965  -1.188   2.974  0.00  0.00    +0.169 C 
ENDBRANCH   1  29
TORSDOF 4