@MOLECULE 172263 62 65 1 SMALL USER_CHARGES @ATOM 1 F1 5.8341 -1.3707 2.4941 F 1 noname -0.1570 2 C1 4.5452 -1.2061 2.5591 C.2 1 noname 0.0637 3 C2 3.9489 -0.3933 3.5787 C.2 1 noname 0.0393 4 C3 3.6720 -1.8265 1.6197 C.2 1 noname 0.0195 5 C4 4.7342 0.4194 4.5334 C.2 1 noname 0.0308 6 C5 2.5401 -0.2530 3.7396 C.2 1 noname -0.0003 7 C6 2.2222 -1.6319 1.6852 C.2 1 noname -0.0105 8 O1 4.1550 1.0095 5.4708 O.2 1 noname -0.2915 9 N1 6.1952 0.5368 4.3850 N.3 1 noname -0.0642 10 C7 1.6926 -0.8712 2.7827 C.2 1 noname -0.0350 11 C8 1.2871 -2.1213 0.6585 C.2 1 noname -0.0052 12 C9 6.6321 0.8507 5.7651 C.3 1 noname 0.0189 13 C10 6.4564 1.6708 3.4562 C.3 1 noname 0.0074 14 C11 -0.1248 -2.4425 0.8734 C.2 1 noname 0.0144 15 C12 1.8264 -2.2445 -0.6716 C.2 1 noname -0.0206 16 C13 8.1683 0.7904 5.9667 C.3 1 noname 0.0112 17 C14 7.8781 1.6931 2.8344 C.3 1 noname -0.0270 18 C15 -0.8329 -2.3855 1.9988 C.1 1 noname -0.0194 19 C16 -0.9072 -2.8858 -0.2198 C.2 1 noname 0.0216 20 C17 0.9985 -2.6934 -1.7273 C.2 1 noname -0.0093 21 N2 8.8692 1.8780 5.2434 N.3 1 noname -0.3049 22 C18 9.0912 1.5921 3.8009 C.3 1 noname -0.0008 23 C19 -1.5165 -2.3456 2.9931 C.1 1 noname -0.0287 24 N3 -0.3111 -2.9899 -1.4477 N.2 1 noname -0.2584 25 C20 -2.3163 -3.2240 -0.0419 C.3 1 noname 0.0440 26 C21 10.1527 2.1454 5.8904 C.3 1 noname -0.0133 27 C22 -2.2524 -2.2968 4.0976 C.2 1 noname -0.0258 28 C23 -2.5422 -4.6873 -0.4271 C.3 1 noname -0.0597 29 C24 -1.7305 -1.6760 5.2753 C.2 1 noname 0.0129 30 C25 -3.5714 -2.8610 4.1417 C.2 1 noname -0.0244 31 N4 -2.5335 -1.6545 6.3982 N.2 1 noname -0.2633 32 C26 -4.3826 -2.8268 5.3136 C.2 1 noname -0.0315 33 C27 -3.8045 -2.1948 6.4499 C.2 1 noname 0.0172 34 N5 -4.5046 -2.1224 7.5901 N.3 1 noname -0.1209 35 H1 4.1155 -2.4538 0.8464 H 1 noname 0.0660 36 H2 2.1220 0.3122 4.5726 H 1 noname 0.0631 37 H3 0.6139 -0.7597 2.8928 H 1 noname 0.0629 38 H4 6.3359 1.8875 5.9246 H 1 noname 0.0449 39 H5 6.2041 0.0606 6.3819 H 1 noname 0.0449 40 H6 5.7615 1.5194 2.6302 H 1 noname 0.0436 41 H7 6.3783 2.5629 4.0777 H 1 noname 0.0436 42 H8 2.8671 -1.9966 -0.8804 H 1 noname 0.0645 43 H9 8.3591 0.9763 7.0237 H 1 noname 0.0443 44 H10 8.5148 -0.1341 5.5048 H 1 noname 0.0443 45 H11 7.9305 0.7941 2.2202 H 1 noname 0.0293 46 H12 7.9670 2.6756 2.3709 H 1 noname 0.0293 47 H13 1.3663 -2.8098 -2.7468 H 1 noname 0.0839 48 H14 9.3967 0.5459 3.7852 H 1 noname 0.0430 49 H15 9.7881 2.3682 3.4843 H 1 noname 0.0430 50 H16 -2.5146 -3.1302 1.0258 H 1 noname 0.0329 51 H17 -2.8648 -2.6076 -0.7542 H 1 noname 0.0329 52 H18 10.0265 2.1191 6.9727 H 1 noname 0.0394 53 H19 10.8758 1.3869 5.5904 H 1 noname 0.0394 54 H20 10.5128 3.1295 5.5904 H 1 noname 0.0394 55 H21 -2.6353 -5.2906 0.4760 H 1 noname 0.0234 56 H22 -3.4557 -4.7712 -1.0159 H 1 noname 0.0234 57 H23 -1.6965 -5.0427 -1.0159 H 1 noname 0.0234 58 H24 -0.7381 -1.2272 5.3163 H 1 noname 0.0853 59 H25 -3.9743 -3.3358 3.2471 H 1 noname 0.0637 60 H26 -5.3836 -3.2574 5.3392 H 1 noname 0.0656 61 H27 -4.0231 -2.0951 8.4775 H 1 noname 0.1257 62 H28 -5.5139 -2.0951 7.5621 H 1 noname 0.1257 @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 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 9 12 1 13 9 13 1 14 11 14 2 15 11 15 1 16 12 16 1 17 13 17 1 18 14 18 1 19 14 19 1 20 15 20 2 21 16 21 1 22 17 22 1 23 18 23 3 24 19 24 2 25 19 25 1 26 20 24 1 27 21 26 1 28 21 22 1 29 23 27 1 30 25 28 1 31 27 29 2 32 27 30 1 33 29 31 1 34 30 32 2 35 31 33 2 36 32 33 1 37 33 34 1 38 4 35 1 39 6 36 1 40 10 37 1 41 12 38 1 42 12 39 1 43 13 40 1 44 13 41 1 45 15 42 1 46 16 43 1 47 16 44 1 48 17 45 1 49 17 46 1 50 20 47 1 51 22 48 1 52 22 49 1 53 25 50 1 54 25 51 1 55 26 52 1 56 26 53 1 57 26 54 1 58 28 55 1 59 28 56 1 60 28 57 1 61 29 58 1 62 30 59 1 63 32 60 1 64 34 61 1 65 34 62 1 @SUBSTRUCTURE 1 noname 1