@MOLECULE DB04841 56 59 1 SMALL USER_CHARGES @ATOM 1 F1 -1.1579 3.2171 4.6803 F 1 noname -0.1655 2 C1 -0.5366 3.0540 3.5489 C.2 1 noname 0.0233 3 C2 -1.2557 2.4910 2.4346 C.2 1 noname -0.0056 4 C3 0.8399 3.4404 3.4528 C.2 1 noname -0.0056 5 C4 -0.5821 2.3629 1.1788 C.2 1 noname -0.0345 6 C5 1.5116 3.2997 2.1968 C.2 1 noname -0.0345 7 C6 0.7729 2.8074 1.0661 C.2 1 noname -0.0480 8 C7 1.3627 2.8959 -0.2861 C.3 1 noname 0.0603 9 N1 1.0842 4.2285 -0.9232 N.3 1 noname -0.2897 10 C8 2.8055 2.6887 -0.2021 C.2 1 noname -0.0480 11 C9 1.3850 4.1930 -2.3995 C.3 1 noname 0.0120 12 C10 1.5924 5.4291 -0.1634 C.3 1 noname 0.0120 13 C11 3.3970 1.6334 -0.8866 C.2 1 noname -0.0345 14 C12 3.5876 3.5467 0.5622 C.2 1 noname -0.0345 15 C13 2.1166 5.4352 -3.0282 C.3 1 noname 0.0114 16 C14 3.0002 5.9136 -0.6205 C.3 1 noname 0.0114 17 C15 4.7706 1.4361 -0.8067 C.2 1 noname -0.0056 18 C16 4.9612 3.3495 0.6421 C.2 1 noname -0.0056 19 N2 3.0259 6.1741 -2.0921 N.3 1 noname -0.2970 20 C17 5.5527 2.2941 -0.0423 C.2 1 noname 0.0233 21 C18 4.4017 6.0864 -2.5786 C.3 1 noname 0.0168 22 F2 6.8384 2.1095 0.0324 F 1 noname -0.1655 23 C19 4.4844 6.6686 -3.8821 C.2 1 noname -0.0637 24 C20 5.6491 6.7002 -4.5236 C.2 1 noname -0.0532 25 C21 5.7277 7.2539 -5.7633 C.2 1 noname -0.0452 26 C22 6.9449 7.2870 -6.4338 C.2 1 noname -0.0523 27 C23 4.5909 7.7867 -6.3599 C.2 1 noname -0.0523 28 C24 7.0253 7.8529 -7.7008 C.2 1 noname -0.0593 29 C25 4.6713 8.3526 -7.6269 C.2 1 noname -0.0593 30 C26 5.8885 8.3857 -8.2974 C.2 1 noname -0.0633 31 H1 -2.2913 2.1675 2.5399 H 1 noname 0.0653 32 H2 1.3676 3.8351 4.3211 H 1 noname 0.0653 33 H3 -1.0948 1.9321 0.3187 H 1 noname 0.0627 34 H4 2.5654 3.5622 2.1032 H 1 noname 0.0627 35 H5 0.9247 2.1053 -0.8953 H 1 noname 0.0569 36 H6 2.0730 3.3548 -2.5097 H 1 noname 0.0444 37 H7 0.4022 4.1568 -2.8694 H 1 noname 0.0444 38 H8 0.8969 6.2339 -0.4015 H 1 noname 0.0444 39 H9 1.7022 5.0905 0.8668 H 1 noname 0.0444 40 H10 2.7837 0.9605 -1.4860 H 1 noname 0.0627 41 H11 3.1237 4.3743 1.0989 H 1 noname 0.0627 42 H12 2.7763 5.0466 -3.8039 H 1 noname 0.0444 43 H13 1.3398 6.1558 -3.2840 H 1 noname 0.0444 44 H14 3.1778 6.8791 -0.1468 H 1 noname 0.0444 45 H15 3.6939 5.0893 -0.4545 H 1 noname 0.0444 46 H16 5.2345 0.6085 -1.3434 H 1 noname 0.0653 47 H17 5.5745 4.0223 1.2415 H 1 noname 0.0653 48 H18 5.0142 6.7074 -1.9249 H 1 noname 0.0475 49 H19 4.6334 5.0281 -2.6991 H 1 noname 0.0475 50 H20 3.6316 7.1025 -4.4040 H 1 noname 0.0589 51 H21 6.5290 6.2772 -4.0389 H 1 noname 0.0626 52 H22 7.8363 6.8692 -5.9659 H 1 noname 0.0628 53 H23 3.6365 7.7608 -5.8342 H 1 noname 0.0628 54 H24 7.9797 7.8788 -8.2266 H 1 noname 0.0622 55 H25 3.7799 8.7705 -8.0948 H 1 noname 0.0622 56 H26 5.9515 8.8295 -9.2910 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 7 8 1 9 8 9 1 10 8 10 1 11 9 11 1 12 9 12 1 13 10 13 2 14 10 14 1 15 11 15 1 16 12 16 1 17 13 17 1 18 14 18 2 19 15 19 1 20 16 19 1 21 17 20 2 22 18 20 1 23 19 21 1 24 20 22 1 25 21 23 1 26 23 24 2 27 24 25 1 28 25 26 2 29 25 27 1 30 26 28 1 31 27 29 2 32 28 30 2 33 29 30 1 34 3 31 1 35 4 32 1 36 5 33 1 37 6 34 1 38 8 35 1 39 11 36 1 40 11 37 1 41 12 38 1 42 12 39 1 43 13 40 1 44 14 41 1 45 15 42 1 46 15 43 1 47 16 44 1 48 16 45 1 49 17 46 1 50 18 47 1 51 21 48 1 52 21 49 1 53 23 50 1 54 24 51 1 55 26 52 1 56 27 53 1 57 28 54 1 58 29 55 1 59 30 56 1 @SUBSTRUCTURE 1 noname 1