REMARK Name = BDB058828 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.715 -1.417 1.711 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -1.796 -2.301 1.688 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -2.905 -2.074 0.856 0.00 0.00 +0.020 A ATOM 4 C LIG 1 -2.927 -0.928 0.036 0.00 0.00 +0.128 A ATOM 5 C LIG 1 -1.846 -0.043 0.068 0.00 0.00 +0.050 A ATOM 6 C LIG 1 -0.743 -0.291 0.895 0.00 0.00 +0.049 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -4.054 -2.997 0.876 0.00 0.00 +0.018 C ATOM 8 C LIG 1 -3.929 -4.333 0.850 0.00 0.00 +0.092 C BRANCH 8 9 ATOM 9 C LIG 1 -5.080 -5.252 0.874 0.00 0.00 +0.330 C ATOM 10 O LIG 1 -5.040 -6.330 1.441 0.00 0.00 -0.246 OA BRANCH 9 11 ATOM 11 O LIG 1 -6.146 -4.816 0.176 0.00 0.00 -0.478 OA ATOM 12 H LIG 1 -5.969 -4.017 -0.354 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 3 7 BRANCH 1 13 ATOM 13 O LIG 1 0.296 -1.780 2.557 0.00 0.00 -0.487 OA BRANCH 13 14 ATOM 14 C LIG 1 1.338 -0.836 2.824 0.00 0.00 +0.264 C BRANCH 14 20 ATOM 15 C LIG 1 4.935 1.488 0.216 0.00 0.00 +0.131 A ATOM 16 C LIG 1 4.203 0.326 0.548 0.00 0.00 +0.042 A ATOM 17 C LIG 1 4.552 -0.872 -0.105 0.00 0.00 +0.075 A ATOM 18 C LIG 1 3.852 -2.029 0.207 0.00 0.00 +0.029 A ATOM 19 C LIG 1 2.813 -2.036 1.143 0.00 0.00 +0.009 A ATOM 20 C LIG 1 2.440 -0.858 1.789 0.00 0.00 -0.010 A ATOM 21 N LIG 1 5.535 -0.942 -1.015 0.00 0.00 -0.242 NA ATOM 22 C LIG 1 6.235 0.184 -1.323 0.00 0.00 +0.148 A ATOM 23 C LIG 1 3.151 0.314 1.494 0.00 0.00 +0.020 A ATOM 24 C LIG 1 5.955 1.412 -0.728 0.00 0.00 +0.078 A BRANCH 22 25 ATOM 25 C LIG 1 7.342 0.114 -2.366 0.00 0.00 +0.434 C ATOM 26 F LIG 1 7.006 0.760 -3.521 0.00 0.00 -0.164 F ATOM 27 F LIG 1 7.698 -1.149 -2.733 0.00 0.00 -0.164 F ATOM 28 F LIG 1 8.494 0.714 -1.940 0.00 0.00 -0.164 F ENDBRANCH 22 25 BRANCH 15 30 ATOM 29 C LIG 1 5.323 3.819 0.604 0.00 0.00 +0.277 C ATOM 30 O LIG 1 4.569 2.642 0.866 0.00 0.00 -0.494 OA ENDBRANCH 15 30 ENDBRANCH 14 20 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 4 31 ATOM 31 O LIG 1 -4.050 -0.752 -0.735 0.00 0.00 -0.487 OA BRANCH 31 32 ATOM 32 C LIG 1 -3.973 0.132 -1.857 0.00 0.00 +0.264 C BRANCH 32 33 ATOM 33 C LIG 1 -4.341 1.561 -1.519 0.00 0.00 -0.010 A ATOM 34 C LIG 1 -3.813 2.614 -2.285 0.00 0.00 +0.010 A ATOM 35 C LIG 1 -4.161 3.936 -2.005 0.00 0.00 +0.039 A ATOM 36 C LIG 1 -5.044 4.208 -0.967 0.00 0.00 +0.123 A ATOM 37 F LIG 1 -5.376 5.478 -0.700 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -5.590 3.183 -0.207 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -5.245 1.859 -0.486 0.00 0.00 +0.010 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 4 31 TORSDOF 11