REMARK Name = BDB028041 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.709 1.011 1.228 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.006 -0.167 0.984 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.373 -1.301 0.752 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.432 0.175 1.056 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.529 -0.647 0.878 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.805 -0.077 0.995 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.930 1.304 1.285 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.801 2.127 1.466 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.550 1.530 1.343 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.188 2.133 1.470 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.396 0.185 1.000 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.983 0.081 0.987 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.124 1.159 1.249 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.709 2.399 1.531 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.096 2.548 1.546 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.921 1.456 1.285 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.332 -1.079 0.695 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -6.571 -1.312 1.608 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -6.280 -2.736 1.669 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -4.897 -2.439 1.321 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -5.598 -1.235 -0.817 0.00 0.00 +0.092 C BRANCH 21 24 ATOM 22 C LIG 1 -8.393 -2.107 -1.873 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -7.901 -0.758 -1.784 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.676 -0.338 -1.328 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -6.631 0.976 -1.417 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 -7.833 1.418 -1.915 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -8.582 0.365 -2.135 0.00 0.00 +0.224 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.934 3.596 1.760 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.244 3.962 2.877 0.00 0.00 -0.166 F ATOM 30 F LIG 1 4.215 4.008 1.959 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.440 4.368 0.753 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.042 -0.932 0.800 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.178 -1.445 -0.573 0.00 0.00 -0.295 NA ATOM 34 C LIG 1 5.412 -0.386 -1.579 0.00 0.00 +0.124 C ATOM 35 C LIG 1 6.821 0.247 -1.567 0.00 0.00 +0.121 C ATOM 36 F LIG 1 6.979 0.952 -0.405 0.00 0.00 -0.241 F ATOM 37 C LIG 1 6.983 1.242 -2.711 0.00 0.00 +0.048 C ATOM 38 C LIG 1 7.902 -0.833 -1.617 0.00 0.00 +0.043 C ATOM 39 C LIG 1 7.654 -1.913 -0.566 0.00 0.00 +0.018 C ATOM 40 C LIG 1 6.230 -2.470 -0.658 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7