REMARK  Name = BDB009272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.592   1.206  -2.095  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.051   1.231  -3.341  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1        0.601   0.934  -4.472  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1       -1.373   1.657  -3.470  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -2.087   2.076  -2.351  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.478   2.074  -1.091  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -0.136   1.659  -0.980  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  15
ATOM      8  C   LIG    1        3.883  -2.452   2.055  0.00  0.00    +0.074 C 
ATOM      9  C   LIG    1        4.443  -1.251   1.293  0.00  0.00    +0.165 C 
ATOM     10  O   LIG    1        4.720  -1.633  -0.057  0.00  0.00    -0.343 OA
ATOM     11  C   LIG    1        3.572  -1.268  -0.818  0.00  0.00    +0.164 C 
ATOM     12  C   LIG    1        3.940  -0.382  -2.015  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        2.635  -0.145  -2.763  0.00  0.00    +0.226 C 
ATOM     14  O   LIG    1        2.289  -0.750  -3.759  0.00  0.00    -0.275 OA
ATOM     15  N   LIG    1        1.927   0.763  -1.935  0.00  0.00    -0.263 N 
ATOM     16  C   LIG    1        2.739   0.976  -0.749  0.00  0.00    +0.114 C 
ATOM     17  C   LIG    1        4.134   0.990  -1.371  0.00  0.00    +0.041 C 
ATOM     18  C   LIG    1        2.755  -0.329   0.075  0.00  0.00    +0.172 C 
ATOM     19  O   LIG    1        3.475  -0.197   1.294  0.00  0.00    -0.342 OA
ATOM     20  C   LIG    1        5.724  -0.748   1.940  0.00  0.00    +0.074 C 
ENDBRANCH   1  15
BRANCH   6  21
ATOM     21  C   LIG    1       -2.236   2.542   0.131  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.569   1.827   0.332  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -3.587   0.413   0.825  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -2.313  -0.306   1.169  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -2.541  -1.592   1.971  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -3.692  -2.403   1.389  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -4.989  -1.591   1.390  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -4.794  -0.168   0.944  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -6.025   0.597   0.625  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -7.142   0.103   0.740  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -5.836   1.884   0.201  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -6.665   2.424  -0.024  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -4.639   2.507   0.044  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 3