@MOLECULE 71316537 51 51 1 SMALL USER_CHARGES @ATOM 1 F1 5.7802 1.3434 0.4951 F 1 noname -0.1661 2 F2 4.2747 2.9255 0.0025 F 1 noname -0.1661 3 F3 4.7012 1.2900 -1.4658 F 1 noname -0.1661 4 O1 -2.5285 -5.7361 -1.9353 O.3 1 noname -0.3845 5 O2 -0.8018 -2.2232 4.0691 O.3 1 noname -0.1981 6 N1 0.0773 -1.6158 3.3328 N.2 1 noname -0.2031 7 N2 -1.6797 -1.9471 7.6384 N.3 1 noname -0.3130 8 N3 -3.5764 -2.7890 10.7314 N.3 1 noname -0.3292 9 C1 -0.4629 -3.2001 -0.1038 C.3 1 noname -0.0454 10 C2 -0.4585 -2.7368 1.3706 C.3 1 noname -0.0074 11 C3 -1.5320 -4.2775 -0.2967 C.3 1 noname -0.0292 12 C4 0.3679 -1.7296 2.0797 C.2 1 noname 0.0452 13 C5 1.4125 -0.8983 1.5568 C.2 1 noname -0.0275 14 C6 -1.5363 -4.7362 -1.7563 C.3 1 noname 0.0463 15 C7 1.8228 -0.9333 0.1906 C.2 1 noname -0.0225 16 C8 2.1272 0.0379 2.3791 C.2 1 noname -0.0225 17 C9 -1.7602 -2.4505 6.2681 C.3 1 noname 0.0215 18 C10 -0.7236 -1.7343 5.4000 C.3 1 noname 0.0896 19 C11 3.5146 0.7666 0.4795 C.2 1 noname 0.0013 20 C12 2.8343 -0.1427 -0.3619 C.2 1 noname -0.0182 21 C13 3.1594 0.8559 1.8517 C.2 1 noname -0.0182 22 C14 -2.6702 -2.6314 8.4679 C.3 1 noname 0.0076 23 C15 -2.5859 -2.1047 9.9019 C.3 1 noname 0.0049 24 C16 4.5893 1.5981 -0.1346 C.3 1 noname 0.4161 25 C17 -2.5325 -6.1618 -3.2900 C.3 1 noname 0.0356 26 H1 -0.6821 -2.3508 -0.7509 H 1 noname 0.0271 27 H2 0.5148 -3.6086 -0.3592 H 1 noname 0.0271 28 H3 -1.4829 -2.6917 1.7403 H 1 noname 0.0333 29 H4 -0.1853 -3.6481 1.9026 H 1 noname 0.0333 30 H5 -2.5097 -3.8690 -0.0413 H 1 noname 0.0290 31 H6 -1.3128 -5.1268 0.3504 H 1 noname 0.0290 32 H7 -1.7555 -3.8868 -2.4034 H 1 noname 0.0566 33 H8 -0.5586 -5.1447 -2.0117 H 1 noname 0.0566 34 H9 1.4085 -1.5408 -0.4942 H 1 noname 0.0629 35 H10 1.9111 0.1500 3.3994 H 1 noname 0.0629 36 H11 -2.7579 -2.2643 5.8707 H 1 noname 0.0452 37 H12 -1.5610 -3.5221 6.2624 H 1 noname 0.0452 38 H13 -0.9229 -0.6627 5.4058 H 1 noname 0.0608 39 H14 0.2741 -1.9205 5.7974 H 1 noname 0.0608 40 H15 3.0477 -0.2505 -1.3601 H 1 noname 0.0629 41 H16 3.6403 1.5132 2.4929 H 1 noname 0.0629 42 H17 -3.6679 -2.4452 8.0705 H 1 noname 0.0441 43 H18 -2.4710 -3.7030 8.4622 H 1 noname 0.0441 44 H19 -1.8665 -0.9424 7.6438 H 1 noname 0.1223 45 H20 -2.7851 -1.0331 9.9076 H 1 noname 0.0438 46 H21 -1.5882 -2.2909 10.2993 H 1 noname 0.0438 47 H22 -3.2942 -6.9293 -3.4274 H 1 noname 0.0529 48 H23 -2.7518 -5.3124 -3.9371 H 1 noname 0.0529 49 H24 -1.5548 -6.5703 -3.5454 H 1 noname 0.0529 50 H25 -3.5201 -2.4371 11.6893 H 1 noname 0.1184 51 H26 -4.5119 -2.6144 10.3588 H 1 noname 0.1184 @BOND 1 1 24 1 2 2 24 1 3 3 24 1 4 4 14 1 5 4 25 1 6 5 6 1 7 5 18 1 8 6 12 2 9 7 17 1 10 7 22 1 11 7 44 1 12 8 23 1 13 8 50 1 14 8 51 1 15 9 10 1 16 9 11 1 17 9 26 1 18 9 27 1 19 10 12 1 20 10 28 1 21 10 29 1 22 11 14 1 23 11 30 1 24 11 31 1 25 12 13 1 26 13 15 2 27 13 16 1 28 14 32 1 29 14 33 1 30 15 20 1 31 15 34 1 32 16 21 2 33 16 35 1 34 17 18 1 35 17 36 1 36 17 37 1 37 18 38 1 38 18 39 1 39 19 20 2 40 19 21 1 41 19 24 1 42 20 40 1 43 21 41 1 44 22 23 1 45 22 42 1 46 22 43 1 47 23 45 1 48 23 46 1 49 25 47 1 50 25 48 1 51 25 49 1 @SUBSTRUCTURE 1 noname 1