REMARK  Name = BDB058027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.188  -0.768   1.256  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1        0.310  -0.636   2.343  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.892   0.065   2.213  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -1.242   0.622   0.981  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.375   0.507  -0.109  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.826  -0.198   0.026  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        5.887   0.245  -1.397  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1        5.183  -0.508  -0.475  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1        3.867  -0.344  -0.109  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1        3.596  -1.329   0.830  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1        4.810  -2.145   1.095  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1        4.960  -3.075   1.857  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1        2.425  -1.540   1.447  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1        5.803  -1.551   0.210  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        7.129  -1.890   0.020  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        7.852  -1.140  -0.909  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        7.238  -0.084  -1.615  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1        5.993   2.394  -2.519  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        5.498   3.180  -2.925  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        6.891   2.582  -2.098  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        5.217   1.330  -2.150  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        4.026   1.293  -2.424  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  C   LIG    1       -2.510   1.381   0.871  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1       -3.328   1.177  -0.241  0.00  0.00    -0.288 N 
ATOM     25  C   LIG    1       -3.440  -0.131  -0.908  0.00  0.00    +0.184 C 
ATOM     26  C   LIG    1       -4.787  -0.717  -0.636  0.00  0.00    +0.151 A 
ATOM     27  N   LIG    1       -5.210  -1.940  -0.874  0.00  0.00    -0.133 NA
ATOM     28  N   LIG    1       -6.528  -2.015  -0.480  0.00  0.00    -0.128 NA
ATOM     29  C   LIG    1       -6.889  -0.836  -0.009  0.00  0.00    +0.200 A 
ATOM     30  N   LIG    1       -5.821   0.009  -0.101  0.00  0.00    -0.307 N 
ATOM     31  C   LIG    1       -5.716   1.399   0.298  0.00  0.00    +0.144 C 
ATOM     32  C   LIG    1       -4.505   2.040  -0.379  0.00  0.00    +0.130 C 
ATOM     33  O   LIG    1       -2.789   2.184   1.758  0.00  0.00    -0.270 OA
BRANCH  29  34
ATOM     34  C   LIG    1       -8.207  -0.445   0.535  0.00  0.00    +0.408 C 
ATOM     35  F   LIG    1       -8.783   0.517  -0.240  0.00  0.00    -0.201 F 
ATOM     36  F   LIG    1       -8.078   0.111   1.772  0.00  0.00    -0.201 F 
ENDBRANCH  29  34
ENDBRANCH   4  23
TORSDOF 4