@MOLECULE 172283 60 64 1 SMALL USER_CHARGES @ATOM 1 F1 2.1626 -1.1210 -5.7321 F 1 noname -0.1570 2 C1 1.7424 0.0637 -5.3965 C.2 1 noname 0.0638 3 C2 1.1700 0.3108 -4.1039 C.2 1 noname 0.0393 4 C3 1.8354 1.1775 -6.3116 C.2 1 noname 0.0195 5 C4 1.1131 -0.7853 -3.0902 C.2 1 noname 0.0319 6 C5 0.6661 1.5905 -3.7380 C.2 1 noname -0.0002 7 C6 1.3707 2.5051 -5.9443 C.2 1 noname -0.0104 8 O1 1.6906 -1.8723 -3.3079 O.2 1 noname -0.2912 9 N1 0.3593 -0.5753 -1.8093 N.3 1 noname -0.0610 10 C7 0.7717 2.6402 -4.6473 C.2 1 noname -0.0350 11 C8 1.4609 3.7307 -6.7852 C.2 1 noname -0.0052 12 C9 0.7351 0.5017 -0.8374 C.3 1 noname 0.0317 13 C10 0.1683 -1.7845 -0.9816 C.3 1 noname 0.0222 14 C11 1.1005 5.0956 -6.3577 C.2 1 noname 0.0144 15 C12 1.9389 3.6001 -8.1469 C.2 1 noname -0.0206 16 C13 2.0918 0.3476 -0.1115 C.3 1 noname 0.0145 17 C14 -0.2641 0.2432 0.2736 C.3 1 noname -0.0188 18 C15 0.3485 -1.1419 0.4197 C.3 1 noname 0.0242 19 C16 0.6748 5.4341 -5.1713 C.1 1 noname -0.0194 20 C17 1.1902 6.2167 -7.2229 C.2 1 noname 0.0216 21 C18 2.0196 4.7467 -8.9736 C.2 1 noname -0.0093 22 N2 1.7713 -0.8366 0.7151 N.3 1 noname -0.3004 23 C19 0.2993 5.5685 -4.0432 C.1 1 noname -0.0287 24 N3 1.6459 5.9762 -8.4871 N.2 1 noname -0.2584 25 C20 0.8148 7.5576 -6.7839 C.3 1 noname 0.0440 26 C21 1.9131 -0.4962 2.1298 C.3 1 noname -0.0129 27 C22 -0.0929 5.5627 -2.8136 C.2 1 noname -0.0258 28 C23 -0.3195 8.0839 -7.6656 C.3 1 noname -0.0597 29 C24 0.7252 5.1066 -1.7387 C.2 1 noname 0.0129 30 C25 -1.3866 6.0912 -2.5264 C.2 1 noname -0.0244 31 N4 0.2413 5.2685 -0.4581 N.2 1 noname -0.2633 32 C26 -1.8690 6.2510 -1.1959 C.2 1 noname -0.0315 33 C27 -0.9927 5.8266 -0.1663 C.2 1 noname 0.0172 34 N5 -1.3646 5.9676 1.1133 N.3 1 noname -0.1209 35 H1 2.2650 1.0127 -7.2997 H 1 noname 0.0660 36 H2 0.2020 1.7655 -2.7674 H 1 noname 0.0631 37 H3 0.3707 3.6035 -4.3322 H 1 noname 0.0629 38 H4 0.7467 1.4443 -1.3846 H 1 noname 0.0486 39 H5 -0.8612 -2.1223 -1.1004 H 1 noname 0.0452 40 H6 0.9929 -2.4693 -1.1796 H 1 noname 0.0452 41 H7 2.2396 2.6338 -8.5517 H 1 noname 0.0645 42 H8 2.8613 0.0671 -0.8308 H 1 noname 0.0447 43 H9 2.2499 1.1978 0.5520 H 1 noname 0.0447 44 H10 -0.0505 0.8619 1.1452 H 1 noname 0.0299 45 H11 -1.2797 0.1851 -0.1178 H 1 noname 0.0299 46 H12 -0.0440 -1.7946 1.1995 H 1 noname 0.0481 47 H13 2.3754 4.6818 -10.0019 H 1 noname 0.0839 48 H14 0.4208 7.4431 -5.7741 H 1 noname 0.0329 49 H15 1.6876 8.1862 -6.9604 H 1 noname 0.0329 50 H16 1.9723 -1.4111 2.7195 H 1 noname 0.0394 51 H17 2.8220 0.0881 2.2736 H 1 noname 0.0394 52 H18 1.0509 0.0881 2.4512 H 1 noname 0.0394 53 H19 -1.1260 8.4582 -7.0350 H 1 noname 0.0234 54 H20 0.0543 8.8916 -8.2949 H 1 noname 0.0234 55 H21 -0.6949 7.2770 -8.2949 H 1 noname 0.0234 56 H22 1.7001 4.6439 -1.8928 H 1 noname 0.0853 57 H23 -2.0311 6.3840 -3.3552 H 1 noname 0.0637 58 H24 -2.8502 6.6730 -0.9785 H 1 noname 0.0656 59 H25 -0.6647 6.0208 1.8396 H 1 noname 0.1257 60 H26 -2.3446 6.0208 1.3515 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 12 17 1 18 18 13 1 19 14 19 1 20 14 20 1 21 15 21 2 22 16 22 1 23 17 18 1 24 18 22 1 25 19 23 3 26 20 24 2 27 20 25 1 28 21 24 1 29 22 26 1 30 23 27 1 31 25 28 1 32 27 29 2 33 27 30 1 34 29 31 1 35 30 32 2 36 31 33 2 37 32 33 1 38 33 34 1 39 4 35 1 40 6 36 1 41 10 37 1 42 12 38 1 43 13 39 1 44 13 40 1 45 15 41 1 46 16 42 1 47 16 43 1 48 17 44 1 49 17 45 1 50 18 46 1 51 21 47 1 52 25 48 1 53 25 49 1 54 26 50 1 55 26 51 1 56 26 52 1 57 28 53 1 58 28 54 1 59 28 55 1 60 29 56 1 61 30 57 1 62 32 58 1 63 34 59 1 64 34 60 1 @SUBSTRUCTURE 1 noname 1