@MOLECULE 111655 44 46 1 SMALL USER_CHARGES @ATOM 1 F1 2.6296 -2.4564 2.6291 F 1 noname -0.2067 2 C1 2.8900 -3.7463 3.0137 C.3 1 noname 0.2503 3 F2 4.0342 -3.6991 3.7675 F 1 noname -0.2067 4 C2 1.7403 -4.2551 3.9446 C.3 1 noname 0.0243 5 C3 3.2850 -4.5941 1.7608 C.3 1 noname 0.0243 6 C4 1.3541 -5.7695 3.7961 C.3 1 noname 0.0102 7 C5 2.3467 -5.8046 1.4909 C.3 1 noname 0.0102 8 N1 2.0244 -6.4832 2.7240 N.3 1 noname -0.0897 9 C6 2.5238 -7.7473 2.8709 C.2 1 noname 0.0563 10 N2 3.8691 -7.8339 3.1325 N.2 1 noname -0.2405 11 C7 1.7445 -8.9257 2.6596 C.2 1 noname 0.0227 12 C8 4.5392 -9.0189 3.1631 C.2 1 noname 0.0409 13 C9 0.4604 -8.8921 2.4356 C.1 1 noname -0.0112 14 C10 2.4593 -10.1490 2.6893 C.2 1 noname 0.0318 15 N3 3.8062 -10.1453 2.9294 N.2 1 noname -0.2612 16 C11 -0.7107 -8.8421 2.2395 C.1 1 noname -0.0264 17 C12 1.7598 -11.4107 2.4642 C.3 1 noname 0.0469 18 C13 -1.9691 -8.7847 2.0293 C.2 1 noname -0.0258 19 C14 1.7676 -11.7385 0.9697 C.3 1 noname -0.0597 20 C15 -2.6475 -7.5368 2.1375 C.2 1 noname 0.0130 21 C16 -2.6842 -9.9763 1.6866 C.2 1 noname -0.0243 22 N4 -4.0041 -7.5285 1.9007 N.2 1 noname -0.2633 23 C17 -4.0920 -9.9371 1.4466 C.2 1 noname -0.0315 24 C18 -4.7263 -8.6668 1.5666 C.2 1 noname 0.0173 25 N5 -6.0455 -8.5685 1.3528 N.3 1 noname -0.1209 26 H1 2.1249 -4.1519 4.9593 H 1 noname 0.0341 27 H2 0.8546 -3.6985 3.6382 H 1 noname 0.0341 28 H3 3.1657 -3.9320 0.9032 H 1 noname 0.0341 29 H4 4.2613 -5.0229 1.9867 H 1 noname 0.0341 30 H5 1.6941 -6.2753 4.6999 H 1 noname 0.0437 31 H6 0.3014 -5.8040 3.5155 H 1 noname 0.0437 32 H7 1.3975 -5.4155 1.1224 H 1 noname 0.0437 33 H8 2.9030 -6.5330 0.9009 H 1 noname 0.0437 34 H9 5.6094 -9.0635 3.3647 H 1 noname 0.1062 35 H10 2.3487 -12.1746 2.9718 H 1 noname 0.0329 36 H11 0.7247 -11.2360 2.7575 H 1 noname 0.0329 37 H12 1.7683 -12.8201 0.8350 H 1 noname 0.0234 38 H13 0.8800 -11.3144 0.5001 H 1 noname 0.0234 39 H14 2.6600 -11.3144 0.5093 H 1 noname 0.0234 40 H15 -2.1392 -6.6078 2.3959 H 1 noname 0.0853 41 H16 -2.1511 -10.9238 1.6077 H 1 noname 0.0637 42 H17 -4.6548 -10.8330 1.1845 H 1 noname 0.0656 43 H18 -6.4777 -7.6592 1.2723 H 1 noname 0.1257 44 H19 -6.6076 -9.4038 1.2723 H 1 noname 0.1257 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 4 6 1 6 5 7 1 7 6 8 1 8 7 8 1 9 8 9 1 10 9 10 2 11 9 11 1 12 10 12 1 13 11 13 1 14 11 14 2 15 12 15 2 16 13 16 3 17 14 17 1 18 14 15 1 19 16 18 1 20 17 19 1 21 18 20 2 22 18 21 1 23 20 22 1 24 21 23 2 25 22 24 2 26 23 24 1 27 24 25 1 28 4 26 1 29 4 27 1 30 5 28 1 31 5 29 1 32 6 30 1 33 6 31 1 34 7 32 1 35 7 33 1 36 12 34 1 37 17 35 1 38 17 36 1 39 19 37 1 40 19 38 1 41 19 39 1 42 20 40 1 43 21 41 1 44 23 42 1 45 25 43 1 46 25 44 1 @SUBSTRUCTURE 1 noname 1