@MOLECULE 76967810 28 28 1 SMALL USER_CHARGES @ATOM 1 F1 2.1467 3.6371 0.2586 F 1 noname -0.1550 2 O1 1.9315 -1.0554 0.4978 O.3 1 noname -0.2771 3 O2 -0.4412 3.7710 -0.5542 O.3 1 noname -0.2652 4 N1 -2.1934 -2.6366 0.8329 N.3 1 noname -0.3301 5 C1 0.0212 0.1805 -0.1763 C.2 1 noname -0.0198 6 C2 -0.7392 -1.0561 -0.3319 C.3 1 noname 0.0252 7 C3 1.3470 0.1336 0.2387 C.2 1 noname -0.0015 8 C4 -1.4320 -1.3984 0.9887 C.3 1 noname -0.0035 9 C5 -0.5807 1.4047 -0.4431 C.2 1 noname -0.0090 10 C6 0.1433 2.5820 -0.2950 C.2 1 noname 0.0338 11 C7 2.0709 1.3109 0.3868 C.2 1 noname 0.0273 12 C8 1.4691 2.5351 0.1199 C.2 1 noname 0.0473 13 C9 2.5329 -1.5555 -0.6874 C.3 1 noname 0.0423 14 C10 -1.0426 4.2711 0.6310 C.3 1 noname 0.0424 15 H1 -1.4889 -0.9259 -1.1124 H 1 noname 0.0330 16 H2 -0.0637 -1.8656 -0.6083 H 1 noname 0.0330 17 H3 -2.1075 -0.5888 1.2651 H 1 noname 0.0429 18 H4 -0.6823 -1.5286 1.7692 H 1 noname 0.0429 19 H5 -1.5535 1.4391 -0.7476 H 1 noname 0.0655 20 H6 3.0438 1.2765 0.6913 H 1 noname 0.0682 21 H7 -2.6562 -2.8653 1.7150 H 1 noname 0.1184 22 H8 -2.8963 -2.5146 0.1011 H 1 noname 0.1184 23 H9 3.0048 -2.5155 -0.4781 H 1 noname 0.0535 24 H10 1.7700 -1.6853 -1.4550 H 1 noname 0.0535 25 H11 3.2854 -0.8495 -1.0387 H 1 noname 0.0535 26 H12 -1.5146 5.2311 0.4218 H 1 noname 0.0535 27 H13 -1.7952 3.5652 0.9824 H 1 noname 0.0535 28 H14 -0.2797 4.4010 1.3987 H 1 noname 0.0535 @BOND 1 1 12 1 2 2 7 1 3 2 13 1 4 3 10 1 5 3 14 1 6 4 8 1 7 4 21 1 8 4 22 1 9 5 6 1 10 5 7 1 11 5 9 2 12 6 8 1 13 6 15 1 14 6 16 1 15 7 11 2 16 8 17 1 17 8 18 1 18 9 10 1 19 9 19 1 20 10 12 2 21 11 12 1 22 11 20 1 23 13 23 1 24 13 24 1 25 13 25 1 26 14 26 1 27 14 27 1 28 14 28 1 @SUBSTRUCTURE 1 noname 1