REMARK  Name = BDB064214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.189  -0.318   1.336  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.326  -0.075   2.700  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.312  -0.832   3.605  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.125   0.970   3.152  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.813   1.768   2.235  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        1.724   1.513   0.856  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        0.895   0.468   0.415  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1       -4.314  -1.083  -0.173  0.00  0.00    -0.296 N 
ATOM      9  C   LIG    1       -3.890  -0.110   0.743  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1       -4.442   0.987   0.857  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1       -2.780  -0.500   1.744  0.00  0.00    +0.204 C 
ATOM     12  N   LIG    1       -1.934  -1.606   1.299  0.00  0.00    -0.287 N 
ATOM     13  C   LIG    1       -0.633  -1.436   0.832  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1       -0.121  -2.184   0.000  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.697  -2.728   0.781  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -3.481  -2.265  -0.442  0.00  0.00    +0.127 C 
BRANCH   8  18
ATOM     17  C   LIG    1       -4.874   0.319  -2.161  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1       -5.339  -0.759  -1.182  0.00  0.00    +0.070 C 
ATOM     19  C   LIG    1       -6.692  -0.410  -0.558  0.00  0.00    +0.028 C 
ENDBRANCH   8  18
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1        2.472   2.391  -0.130  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.175   1.647  -1.177  0.00  0.00    -0.289 N 
ATOM     22  C   LIG    1        4.406   0.973  -0.907  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        5.043   0.262  -1.932  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        6.250  -0.417  -1.716  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.842  -0.392  -0.458  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.228   0.309   0.575  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.430   0.231  -3.269  0.00  0.00    +0.262 A 
ATOM     28  O   LIG    1        4.946  -0.366  -4.207  0.00  0.00    -0.267 OA
ATOM     29  N   LIG    1        3.254   0.912  -3.404  0.00  0.00    -0.274 N 
ATOM     30  H   LIG    1        2.818   0.889  -4.313  0.00  0.00    +0.173 HD
ATOM     31  C   LIG    1        5.022   0.987   0.353  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1        2.592   1.610  -2.435  0.00  0.00    +0.330 A 
ATOM     33  O   LIG    1        1.527   2.158  -2.715  0.00  0.00    -0.246 OA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4