@MOLECULE DB07545 48 51 1 SMALL USER_CHARGES @ATOM 1 F1 4.4659 -3.5624 3.9972 F 1 noname -0.1661 2 C1 4.9056 -4.0946 2.8127 C.3 1 noname 0.4161 3 F2 6.0658 -4.7925 3.0280 F 1 noname -0.1661 4 F3 3.9507 -4.9397 2.3089 F 1 noname -0.1661 5 C2 5.1551 -3.0182 1.8584 C.2 1 noname -0.0115 6 C3 6.1155 -1.9932 2.1431 C.2 1 noname -0.0241 7 C4 4.4434 -2.9609 0.6109 C.2 1 noname -0.0487 8 C5 6.3166 -0.9343 1.1896 C.2 1 noname -0.0219 9 C6 4.7123 -1.9665 -0.3914 C.2 1 noname -0.0535 10 N1 6.8335 0.2438 1.6386 N.3 1 noname 0.0042 11 C7 5.6745 -0.9456 -0.0981 C.2 1 noname -0.0554 12 C8 6.0824 1.2336 2.2491 C.2 1 noname 0.0395 13 N2 6.7311 2.3785 2.6566 N.2 1 noname -0.2325 14 C9 4.6708 1.0823 2.4562 C.2 1 noname -0.0249 15 C10 6.0985 3.4269 3.2712 C.2 1 noname 0.0843 16 C11 4.0249 2.1674 3.0905 C.2 1 noname 0.0082 17 N3 4.7513 3.2687 3.4624 N.2 1 noname -0.2574 18 N4 6.7523 4.5306 3.6584 N.3 1 noname 0.0313 19 C12 6.7485 5.4252 2.6608 C.2 1 noname -0.0228 20 C13 7.3708 6.6567 2.8292 C.2 1 noname -0.0307 21 C14 6.1224 5.1217 1.4575 C.2 1 noname -0.0556 22 C15 7.3668 7.5846 1.7943 C.2 1 noname -0.0229 23 C16 6.1184 6.0496 0.4226 C.2 1 noname -0.0548 24 N5 7.9667 8.7718 1.9567 N.3 1 noname -0.1386 25 C17 6.7406 7.2811 0.5910 C.2 1 noname -0.0556 26 C18 8.0335 9.3278 3.1741 C.2 1 noname 0.1304 27 O1 7.5362 8.7390 4.1582 O.2 1 noname -0.2750 28 C19 8.6870 10.6214 3.3509 C.3 1 noname 0.0331 29 C20 8.6256 11.0265 4.8251 C.3 1 noname -0.0414 30 C21 9.9188 10.4527 4.2427 C.3 1 noname -0.0414 31 H1 6.6853 -2.0186 3.0719 H 1 noname 0.0645 32 H2 3.6680 -3.7020 0.4171 H 1 noname 0.0628 33 H3 4.1982 -1.9862 -1.3523 H 1 noname 0.0623 34 H4 7.8247 0.3909 1.5123 H 1 noname 0.1357 35 H5 5.9146 -0.1881 -0.8442 H 1 noname 0.0639 36 H6 4.1203 0.1931 2.1489 H 1 noname 0.0672 37 H7 2.9544 2.1547 3.2953 H 1 noname 0.0841 38 H8 7.1816 4.6671 4.5624 H 1 noname 0.1373 39 H9 7.8618 6.8947 3.7728 H 1 noname 0.0656 40 H10 5.6344 4.1560 1.3254 H 1 noname 0.0639 41 H11 5.6274 5.8116 -0.5209 H 1 noname 0.0623 42 H12 8.3684 9.2476 1.1615 H 1 noname 0.1371 43 H13 6.7376 8.0088 -0.2205 H 1 noname 0.0639 44 H14 8.4604 11.0850 2.3909 H 1 noname 0.0397 45 H15 8.6309 12.0988 5.0205 H 1 noname 0.0274 46 H16 8.0630 10.3568 5.4755 H 1 noname 0.0274 47 H17 10.1541 9.4290 4.5338 H 1 noname 0.0274 48 H18 10.7221 11.1710 4.0787 H 1 noname 0.0274 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 11 1 12 10 12 1 13 12 13 2 14 12 14 1 15 13 15 1 16 14 16 2 17 15 17 2 18 15 18 1 19 16 17 1 20 18 19 1 21 19 20 2 22 19 21 1 23 20 22 1 24 21 23 2 25 22 24 1 26 22 25 2 27 23 25 1 28 24 26 1 29 26 27 2 30 26 28 1 31 28 29 1 32 28 30 1 33 29 30 1 34 6 31 1 35 7 32 1 36 9 33 1 37 10 34 1 38 11 35 1 39 14 36 1 40 16 37 1 41 18 38 1 42 20 39 1 43 21 40 1 44 23 41 1 45 24 42 1 46 25 43 1 47 28 44 1 48 29 45 1 49 29 46 1 50 30 47 1 51 30 48 1 @SUBSTRUCTURE 1 noname 1