@MOLECULE 71586759 59 62 1 SMALL USER_CHARGES @ATOM 1 P1 5.1306 -9.6212 0.9110 P 1 noname 0.0162 2 F1 1.3499 -1.9089 -1.6108 F 1 noname -0.2392 3 O1 3.8158 -4.7306 -2.0859 O.3 1 noname -0.3813 4 O2 1.6357 -2.1775 1.9870 O.3 1 noname -0.3896 5 O3 5.6467 -5.4923 -0.0874 O.2 1 noname -0.2776 6 O4 5.0220 -8.0852 0.8853 O.3 1 noname -0.1489 7 O5 -3.4891 0.8982 -2.5342 O.2 1 noname -0.3034 8 O6 5.3842 -10.0938 2.3546 O.3 1 noname -0.1643 9 O7 3.8180 -10.2374 0.3922 O.3 1 noname -0.1643 10 O8 6.2223 -10.0393 0.0703 O.2 1 noname -0.1964 11 C1 2.5315 -4.6175 0.0171 C.3 1 noname 0.0093 12 C2 1.2020 -4.5888 -0.8334 C.3 1 noname -0.0265 13 C3 0.1517 -3.5982 -0.2262 C.3 1 noname 0.0005 14 C4 0.7564 -2.1007 -0.3644 C.3 1 noname 0.1519 15 C5 3.3823 -5.5160 -0.9711 C.3 1 noname 0.1309 16 C6 3.0789 -3.1792 0.3020 C.3 1 noname -0.0149 17 C7 0.9391 -6.0824 -1.1738 C.3 1 noname -0.0462 18 C8 2.0131 -2.0789 0.6156 C.3 1 noname 0.0902 19 C9 -0.3610 -0.9190 -0.3404 C.3 1 noname 0.0442 20 C10 2.3811 -6.5934 -1.4822 C.3 1 noname -0.0160 21 C11 -1.3171 -3.7570 -0.6766 C.3 1 noname -0.0432 22 C12 2.3677 -5.2324 1.4678 C.3 1 noname -0.0561 23 C13 -2.1698 -2.7403 0.1259 C.3 1 noname -0.0302 24 C14 -1.7631 -1.4529 -0.4347 C.2 1 noname -0.0275 25 C15 4.6852 -6.1933 -0.4702 C.2 1 noname 0.1751 26 C16 -0.2569 -0.0001 0.9110 C.3 1 noname -0.0491 27 C17 -0.1829 0.1086 -1.3974 C.2 1 noname -0.0376 28 C18 -2.7428 -0.8936 -1.1681 C.2 1 noname 0.0223 29 C19 4.7881 -7.6495 -0.4458 C.3 1 noname 0.1239 30 C20 -1.1570 0.6681 -2.1406 C.2 1 noname 0.0172 31 C21 -2.5469 0.2786 -1.9950 C.2 1 noname 0.0644 32 H1 1.3611 -4.1807 -1.8408 H 1 noname 0.0313 33 H2 0.0728 -3.8624 0.8259 H 1 noname 0.0340 34 H3 3.7008 -2.8552 -0.5325 H 1 noname 0.0301 35 H4 3.7817 -3.2315 1.1335 H 1 noname 0.0301 36 H5 0.3299 -6.1479 -2.0753 H 1 noname 0.0271 37 H6 0.5367 -6.5998 -0.3029 H 1 noname 0.0271 38 H7 2.5389 -1.1301 0.5262 H 1 noname 0.0634 39 H8 2.4999 -6.7183 -2.5584 H 1 noname 0.0301 40 H9 2.5196 -7.5488 -0.9761 H 1 noname 0.0301 41 H10 -1.6569 -4.7692 -0.4574 H 1 noname 0.0274 42 H11 -1.3744 -3.5263 -1.7404 H 1 noname 0.0274 43 H12 3.3289 -5.2129 1.9813 H 1 noname 0.0237 44 H13 1.6426 -4.6455 2.0315 H 1 noname 0.0237 45 H14 2.0189 -6.2621 1.3887 H 1 noname 0.0237 46 H15 -3.2266 -2.9091 -0.0811 H 1 noname 0.0313 47 H16 -1.9122 -2.8595 1.1783 H 1 noname 0.0313 48 H17 -1.0306 0.7663 0.8645 H 1 noname 0.0244 49 H18 -0.3912 -0.5976 1.8127 H 1 noname 0.0244 50 H19 0.7240 0.4747 0.9325 H 1 noname 0.0244 51 H20 0.7428 0.4124 -1.5731 H 1 noname 0.0587 52 H21 4.3417 -5.2901 -2.6948 H 1 noname 0.2114 53 H22 2.4385 -2.1600 2.5488 H 1 noname 0.2105 54 H23 -3.6431 -1.3043 -1.1408 H 1 noname 0.0663 55 H24 3.8591 -8.0856 -0.8130 H 1 noname 0.0661 56 H25 5.6145 -7.9660 -1.0822 H 1 noname 0.0661 57 H26 -0.9183 1.3634 -2.8036 H 1 noname 0.0660 58 H27 4.6412 -9.8092 2.9268 H 1 noname 0.2283 59 H28 3.0750 -9.9528 0.9644 H 1 noname 0.2283 @BOND 1 1 6 1 2 1 8 1 3 1 9 1 4 1 10 2 5 14 2 1 6 15 3 1 7 3 52 1 8 18 4 1 9 4 53 1 10 5 25 2 11 6 29 1 12 7 31 2 13 8 58 1 14 9 59 1 15 11 12 1 16 11 15 1 17 11 16 1 18 11 22 1 19 12 13 1 20 12 17 1 21 12 32 1 22 13 14 1 23 13 21 1 24 13 33 1 25 14 18 1 26 14 19 1 27 15 20 1 28 15 25 1 29 16 18 1 30 16 34 1 31 16 35 1 32 17 20 1 33 17 36 1 34 17 37 1 35 18 38 1 36 19 24 1 37 19 26 1 38 19 27 1 39 20 39 1 40 20 40 1 41 21 23 1 42 21 41 1 43 21 42 1 44 22 43 1 45 22 44 1 46 22 45 1 47 23 24 1 48 23 46 1 49 23 47 1 50 24 28 2 51 25 29 1 52 26 48 1 53 26 49 1 54 26 50 1 55 27 30 2 56 27 51 1 57 28 31 1 58 28 54 1 59 29 55 1 60 29 56 1 61 30 31 1 62 30 57 1 @SUBSTRUCTURE 1 noname 1