@MOLECULE 91617806 41 43 1 SMALL USER_CHARGES @ATOM 1 S1 2.4879 -1.6582 1.0778 S.3 1 noname -0.0949 2 F1 -2.5845 2.5245 0.1884 F 1 noname -0.1661 3 F2 -0.8912 3.9441 -0.1721 F 1 noname -0.1661 4 F3 -1.5356 3.4787 1.9209 F 1 noname -0.1661 5 N1 -3.0508 -0.3583 -3.4291 N.3 1 noname -0.2984 6 C1 0.8190 0.0763 -0.4299 C.2 1 noname -0.0015 7 C2 1.3946 -0.3078 0.8334 C.2 1 noname -0.0063 8 C3 1.1010 -0.4898 -1.6455 C.2 1 noname -0.0187 9 C4 3.4636 -1.2712 -1.5192 C.2 1 noname -0.0183 10 C5 -0.1094 1.1633 -0.4990 C.2 1 noname -0.0022 11 C6 3.7267 -1.5336 -0.1319 C.2 1 noname -0.0147 12 C7 -0.4323 1.8533 0.7017 C.2 1 noname -0.0011 13 C8 2.2294 -1.0530 -2.0913 C.2 1 noname -0.0143 14 C9 1.0696 0.3908 2.0277 C.2 1 noname -0.0209 15 C10 0.1497 1.4748 1.9452 C.2 1 noname -0.0172 16 C11 4.5421 -1.2541 -2.4383 C.2 1 noname -0.0425 17 C12 5.0485 -1.7842 0.3454 C.2 1 noname -0.0326 18 C13 -1.3753 2.9671 0.6591 C.3 1 noname 0.4161 19 C14 5.8711 -1.4846 -1.9552 C.2 1 noname -0.0547 20 C15 6.1318 -1.7530 -0.5746 C.2 1 noname -0.0539 21 C16 0.1481 -0.4781 -2.4729 C.1 1 noname -0.0450 22 C17 -1.7818 -0.4543 -4.1486 C.3 1 noname 0.0601 23 C18 -0.7534 -0.4670 -3.2557 C.1 1 noname -0.0704 24 C19 -4.1547 -0.3447 -4.3876 C.3 1 noname -0.0127 25 C20 -3.1937 -1.5081 -2.5375 C.3 1 noname -0.0127 26 H1 -0.5292 1.4363 -1.3876 H 1 noname 0.0635 27 H2 2.1643 -1.3800 -3.0235 H 1 noname 0.0642 28 H3 1.4843 0.1228 2.9203 H 1 noname 0.0634 29 H4 -0.0964 1.9888 2.7911 H 1 noname 0.0629 30 H5 4.3747 -1.0803 -3.4293 H 1 noname 0.0629 31 H6 5.2132 -1.9829 1.3322 H 1 noname 0.0634 32 H7 6.6508 -1.4567 -2.6122 H 1 noname 0.0622 33 H8 7.0854 -1.9203 -0.2534 H 1 noname 0.0623 34 H9 -1.7652 -1.3730 -4.7350 H 1 noname 0.0570 35 H10 -1.6753 0.4029 -4.8134 H 1 noname 0.0570 36 H11 -5.1008 -0.2731 -3.8511 H 1 noname 0.0394 37 H12 -4.1381 -1.2634 -4.9739 H 1 noname 0.0394 38 H13 -4.1399 -1.4365 -2.0010 H 1 noname 0.0394 39 H14 -3.1771 -2.4268 -3.1238 H 1 noname 0.0394 40 H15 -2.3707 -1.5183 -1.8229 H 1 noname 0.0394 41 H16 -4.0482 0.5126 -5.0523 H 1 noname 0.0394 @BOND 1 1 7 1 2 1 11 1 3 2 18 1 4 3 18 1 5 4 18 1 6 5 22 1 7 5 24 1 8 5 25 1 9 6 7 2 10 6 8 1 11 6 10 1 12 7 14 1 13 8 13 2 14 8 21 1 15 9 11 1 16 9 13 1 17 9 16 2 18 10 12 2 19 10 26 1 20 11 17 2 21 12 15 1 22 12 18 1 23 13 27 1 24 14 15 2 25 14 28 1 26 15 29 1 27 16 19 1 28 16 30 1 29 17 20 1 30 17 31 1 31 19 20 2 32 19 32 1 33 20 33 1 34 21 23 3 35 22 23 1 36 22 34 1 37 22 35 1 38 24 36 1 39 24 37 1 40 24 41 1 41 25 38 1 42 25 39 1 43 25 40 1 @SUBSTRUCTURE 1 noname 1