@MOLECULE 71587715 33 35 1 SMALL USER_CHARGES @ATOM 1 Cl1 -4.5711 -0.7095 -0.2288 Cl 1 noname -0.0843 2 F1 -0.7266 3.6624 1.0988 F 1 noname -0.1664 3 F2 -0.2450 4.7562 -0.7943 F 1 noname -0.1664 4 F3 -2.2273 3.7422 -0.5607 F 1 noname -0.1664 5 O1 1.0946 2.4904 -0.4388 O.3 1 noname -0.1638 6 O2 3.1009 1.2434 -0.6858 O.2 1 noname -0.2302 7 N1 1.2012 0.2205 0.2643 N.3 1 noname -0.1075 8 C1 -0.4315 1.3797 -5.5941 C.3 1 noname -0.0292 9 C2 -0.4730 2.7651 -4.9460 C.3 1 noname 0.0233 10 C3 -1.7617 2.1244 -5.4652 C.3 1 noname -0.0354 11 C4 0.0852 1.5031 -7.0289 C.3 1 noname -0.0613 12 C5 -0.4148 2.6346 -3.5915 C.1 1 noname -0.0807 13 C6 -0.2975 2.3717 -0.8615 C.3 1 noname 0.2605 14 C7 -0.3638 2.5203 -2.4041 C.1 1 noname -0.0676 15 C8 -0.9782 1.1066 -0.3757 C.2 1 noname 0.0067 16 C9 -0.8911 3.6703 -0.2623 C.3 1 noname 0.4337 17 C10 -0.1398 0.0755 0.1811 C.2 1 noname 0.0031 18 C11 -2.3908 0.8489 -0.5020 C.2 1 noname 0.0009 19 C12 1.9078 1.3071 -0.3186 C.2 1 noname 0.1376 20 C13 -0.6738 -1.1768 0.6270 C.2 1 noname -0.0173 21 C14 -2.9191 -0.4062 -0.0710 C.2 1 noname -0.0056 22 C15 -2.0726 -1.4072 0.4906 C.2 1 noname -0.0175 23 H1 -0.4290 0.4741 -4.9874 H 1 noname 0.0313 24 H2 -0.3827 3.7164 -5.4703 H 1 noname 0.0441 25 H3 -2.3273 1.7158 -4.6278 H 1 noname 0.0282 26 H4 -2.1887 2.5388 -6.3785 H 1 noname 0.0282 27 H5 0.1148 0.5161 -7.4905 H 1 noname 0.0234 28 H6 -0.5794 2.1515 -7.5999 H 1 noname 0.0234 29 H7 1.0883 1.9295 -7.0185 H 1 noname 0.0234 30 H8 -3.0089 1.5580 -0.8965 H 1 noname 0.0643 31 H9 1.7076 -0.4517 0.7467 H 1 noname 0.1396 32 H10 -0.0656 -1.8878 1.0332 H 1 noname 0.0640 33 H11 -2.4719 -2.2944 0.7967 H 1 noname 0.0638 @BOND 1 1 21 1 2 2 16 1 3 3 16 1 4 4 16 1 5 5 13 1 6 5 19 1 7 6 19 2 8 7 17 1 9 7 19 1 10 7 31 1 11 8 9 1 12 8 10 1 13 8 11 1 14 8 23 1 15 9 10 1 16 9 12 1 17 9 24 1 18 10 25 1 19 10 26 1 20 11 27 1 21 11 28 1 22 11 29 1 23 12 14 3 24 13 14 1 25 13 15 1 26 13 16 1 27 15 17 2 28 15 18 1 29 17 20 1 30 18 21 2 31 18 30 1 32 20 22 2 33 20 32 1 34 21 22 1 35 22 33 1 @SUBSTRUCTURE 1 noname 1