@MOLECULE 76963603 43 45 1 SMALL USER_CHARGES @ATOM 1 S1 2.8085 1.0767 -0.2196 S 1 noname -0.0702 2 F1 6.6689 0.2359 0.9943 F 1 noname -0.1660 3 F2 6.5312 2.4701 0.9499 F 1 noname -0.1660 4 F3 4.7194 1.2462 1.4316 F 1 noname -0.1660 5 F4 -0.0851 3.1499 -4.1934 F 1 noname -0.2077 6 F5 0.7939 1.4150 -5.3023 F 1 noname -0.2077 7 O1 2.6966 1.0080 -3.2823 O.3 1 noname -0.2557 8 O2 2.7961 2.3746 0.7371 O.2 1 noname -0.1900 9 O3 1.4090 0.9355 -0.9811 O.2 1 noname -0.1900 10 O4 0.9361 -1.7993 5.4519 O.3 1 noname -0.2597 11 O5 -2.0000 1.0228 1.8962 O.2 1 noname -0.2420 12 N1 2.8974 -0.2491 0.8442 N.3 1 noname 0.1027 13 N2 -0.0683 -0.0243 2.5146 N.3 1 noname 0.0834 14 N3 0.6271 0.1834 1.4767 N.3 1 noname -0.0074 15 N4 1.9125 -0.9898 2.8549 N.2 1 noname -0.1898 16 N5 -1.8827 0.0098 3.9355 N.2 1 noname -0.1384 17 C1 4.1904 1.1593 -1.3013 C.2 1 noname 0.0761 18 C2 5.5142 1.2515 -0.7686 C.2 1 noname 0.0664 19 C3 3.9452 1.1548 -2.7056 C.2 1 noname 0.0755 20 C4 1.8469 -0.3776 1.6624 C.2 1 noname -0.0232 21 C5 0.7014 -0.7325 3.3659 C.2 1 noname 0.0511 22 C6 6.5954 1.3138 -1.6729 C.2 1 noname -0.0147 23 C7 5.0589 1.1999 -3.5696 C.2 1 noname -0.0046 24 C8 5.8656 1.3019 0.6814 C.3 1 noname 0.4177 25 C9 6.3696 1.2849 -3.0597 C.2 1 noname -0.0138 26 C10 0.1738 -1.0968 4.5934 C.2 1 noname 0.0434 27 C11 -1.3425 0.3653 2.7470 C.2 1 noname 0.1192 28 C12 1.9663 2.2496 -3.4187 C.3 1 noname 0.1142 29 C13 -1.1535 -0.7032 4.8460 C.2 1 noname 0.0846 30 C14 0.6069 1.9735 -4.0642 C.3 1 noname 0.2617 31 C15 1.6562 -0.9045 6.2869 C.3 1 noname 0.0425 32 H1 3.0116 -1.0660 0.3338 H 1 noname 0.1533 33 H2 0.2993 0.7146 0.7214 H 1 noname 0.1514 34 H3 7.5687 1.3806 -1.3470 H 1 noname 0.0629 35 H4 4.9262 1.1721 -4.5833 H 1 noname 0.0650 36 H5 7.1734 1.3205 -3.7037 H 1 noname 0.0623 37 H6 1.8176 2.6936 -2.4344 H 1 noname 0.0632 38 H7 2.5332 2.9377 -4.0457 H 1 noname 0.0632 39 H8 -1.5770 -0.9554 5.7182 H 1 noname 0.0870 40 H9 0.0399 1.2854 -3.4371 H 1 noname 0.1061 41 H10 2.2735 -1.4735 6.9821 H 1 noname 0.0535 42 H11 0.9548 -0.2857 6.8465 H 1 noname 0.0535 43 H12 2.2931 -0.2676 5.6730 H 1 noname 0.0535 @BOND 1 1 8 2 2 1 9 2 3 1 12 1 4 1 17 1 5 2 24 1 6 3 24 1 7 4 24 1 8 5 30 1 9 6 30 1 10 7 19 1 11 7 28 1 12 10 26 1 13 10 31 1 14 11 27 2 15 12 20 1 16 12 32 1 17 13 14 1 18 13 21 1 19 13 27 1 20 14 20 1 21 14 33 1 22 15 20 2 23 15 21 1 24 16 27 1 25 16 29 2 26 17 18 2 27 17 19 1 28 18 22 1 29 18 24 1 30 19 23 2 31 21 26 2 32 22 25 2 33 22 34 1 34 23 25 1 35 23 35 1 36 25 36 1 37 26 29 1 38 28 30 1 39 28 37 1 40 28 38 1 41 29 39 1 42 30 40 1 43 31 41 1 44 31 42 1 45 31 43 1 @SUBSTRUCTURE 1 noname 1