@MOLECULE 178365 70 74 1 SMALL USER_CHARGES @ATOM 1 F1 6.0545 -1.9247 -1.1356 F 1 noname -0.1580 2 C1 4.8195 -1.9275 -1.5449 C.2 1 noname 0.0539 3 C2 4.3732 -2.8591 -2.5345 C.2 1 noname 0.0417 4 C3 3.8654 -0.9978 -1.0183 C.2 1 noname 0.0296 5 N1 5.2441 -3.7597 -3.0100 N.3 1 noname -0.1226 6 C4 3.0347 -2.8672 -3.0359 C.2 1 noname -0.0114 7 C5 2.4859 -1.0226 -1.4636 C.2 1 noname -0.0140 8 C6 6.2402 -4.2043 -2.2317 C.2 1 noname 0.0407 9 C7 2.1082 -1.9290 -2.5007 C.2 1 noname -0.0241 10 C8 1.4772 -0.1828 -0.8631 C.2 1 noname 0.0740 11 O1 6.3569 -3.7790 -1.0621 O.2 1 noname -0.2742 12 N2 7.1111 -5.1048 -2.7072 N.3 1 noname -0.0561 13 N3 1.9284 0.9985 -0.4301 N.2 1 noname -0.2345 14 C9 0.0884 -0.4198 -0.6330 C.2 1 noname 0.0432 15 C10 8.1592 -5.5727 -1.8882 C.3 1 noname 0.0154 16 C11 1.2053 1.9754 0.1515 C.2 1 noname 0.1043 17 C12 -0.5637 -1.6909 -1.0016 C.2 1 noname 0.0385 18 C13 -0.6819 0.5693 0.0509 C.2 1 noname 0.1077 19 C14 9.0018 -6.5849 -2.6668 C.3 1 noname -0.0358 20 C15 9.5021 -5.1502 -2.4874 C.3 1 noname -0.0358 21 N4 -0.1082 1.7560 0.3913 N.2 1 noname -0.2057 22 N5 1.8672 3.1033 0.4518 N.3 1 noname -0.0512 23 O2 -0.8318 -2.0484 -2.1691 O.2 1 noname -0.2883 24 N6 -0.8517 -2.4761 0.2112 N.3 1 noname -0.0608 25 O3 -2.0008 0.3807 0.4387 O.3 1 noname -0.2253 26 C16 1.8613 3.5951 1.8022 C.3 1 noname 0.0380 27 C17 2.7257 3.6707 -0.5575 C.3 1 noname 0.0299 28 C18 -2.1154 -2.0677 0.8631 C.3 1 noname 0.0353 29 C19 -0.0159 -3.5027 0.6967 C.3 1 noname 0.0034 30 C20 -2.1152 -0.6375 1.4648 C.3 1 noname 0.0843 31 C21 3.2418 4.2620 2.1977 C.3 1 noname 0.0625 32 C22 1.5573 2.4438 2.7629 C.3 1 noname -0.0468 33 C23 4.1931 3.5373 -0.0201 C.3 1 noname 0.0600 34 C24 1.0079 -2.9105 1.6674 C.3 1 noname -0.0519 35 C25 -3.4043 -0.4184 2.2593 C.3 1 noname -0.0342 36 C26 -0.8693 -0.5247 2.3455 C.3 1 noname -0.0342 37 O4 4.3971 3.8764 1.3918 O.3 1 noname -0.3783 38 H1 4.1904 -0.2687 -0.2761 H 1 noname 0.0660 39 H2 5.1498 -4.1033 -3.9550 H 1 noname 0.1386 40 H3 2.7278 -3.5722 -3.8084 H 1 noname 0.0640 41 H4 1.0912 -1.9042 -2.8921 H 1 noname 0.0630 42 H5 6.9811 -5.4224 -3.6571 H 1 noname 0.1326 43 H6 7.6586 -5.5190 -0.9214 H 1 noname 0.0469 44 H7 9.5078 -7.3399 -2.0650 H 1 noname 0.0283 45 H8 8.6367 -6.8365 -3.6625 H 1 noname 0.0283 46 H9 9.4456 -4.5165 -3.3725 H 1 noname 0.0283 47 H10 10.3168 -5.0200 -1.7750 H 1 noname 0.0283 48 H11 1.0519 4.3251 1.7978 H 1 noname 0.0493 49 H12 2.6159 3.0366 -1.4372 H 1 noname 0.0459 50 H13 2.4676 4.7283 -0.6123 H 1 noname 0.0459 51 H14 -2.8510 -2.0647 0.0587 H 1 noname 0.0465 52 H15 -2.2270 -2.7557 1.7012 H 1 noname 0.0465 53 H16 -0.6720 -4.1674 1.2587 H 1 noname 0.0433 54 H17 0.5198 -3.8757 -0.1762 H 1 noname 0.0433 55 H18 3.1428 5.3314 2.0111 H 1 noname 0.0582 56 H19 3.4929 3.9039 3.1961 H 1 noname 0.0582 57 H20 1.6499 2.7943 3.7909 H 1 noname 0.0247 58 H21 0.5423 2.0856 2.5911 H 1 noname 0.0247 59 H22 2.2633 1.6312 2.5911 H 1 noname 0.0247 60 H23 4.4519 2.4799 -0.0766 H 1 noname 0.0580 61 H24 4.7909 4.2741 -0.5565 H 1 noname 0.0580 62 H25 0.6867 -3.0963 2.6923 H 1 noname 0.0243 63 H26 1.9788 -3.3771 1.5007 H 1 noname 0.0243 64 H27 1.0877 -1.8363 1.5007 H 1 noname 0.0243 65 H28 -3.1843 -0.4558 3.3262 H 1 noname 0.0260 66 H29 -3.8242 0.5558 2.0088 H 1 noname 0.0260 67 H30 -4.1226 -1.1990 2.0088 H 1 noname 0.0260 68 H31 -1.1626 -0.5513 3.3950 H 1 noname 0.0260 69 H32 -0.1985 -1.3576 2.1346 H 1 noname 0.0260 70 H33 -0.3591 0.4151 2.1346 H 1 noname 0.0260 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 8 11 2 12 8 12 1 13 10 13 2 14 10 14 1 15 12 15 1 16 13 16 1 17 14 17 1 18 14 18 2 19 15 19 1 20 15 20 1 21 16 21 2 22 16 22 1 23 17 23 2 24 17 24 1 25 18 25 1 26 18 21 1 27 19 20 1 28 26 22 1 29 22 27 1 30 24 28 1 31 24 29 1 32 25 30 1 33 26 31 1 34 26 32 1 35 27 33 1 36 28 30 1 37 29 34 1 38 30 35 1 39 30 36 1 40 31 37 1 41 33 37 1 42 4 38 1 43 5 39 1 44 6 40 1 45 9 41 1 46 12 42 1 47 15 43 1 48 19 44 1 49 19 45 1 50 20 46 1 51 20 47 1 52 26 48 1 53 27 49 1 54 27 50 1 55 28 51 1 56 28 52 1 57 29 53 1 58 29 54 1 59 31 55 1 60 31 56 1 61 32 57 1 62 32 58 1 63 32 59 1 64 33 60 1 65 33 61 1 66 34 62 1 67 34 63 1 68 34 64 1 69 35 65 1 70 35 66 1 71 35 67 1 72 36 68 1 73 36 69 1 74 36 70 1 @SUBSTRUCTURE 1 noname 1