@MOLECULE DB07244 45 47 1 SMALL USER_CHARGES @ATOM 1 F1 4.6962 8.1996 0.2171 F 1 noname -0.1630 2 C1 3.5765 7.7120 -0.2254 C.2 1 noname 0.0411 3 C2 2.6863 8.4825 -1.0277 C.2 1 noname 0.0427 4 C3 3.2627 6.3738 0.1076 C.2 1 noname -0.0031 5 C4 1.4704 7.8999 -1.4874 C.2 1 noname 0.0411 6 C5 2.0612 5.7914 -0.3594 C.2 1 noname -0.0159 7 F2 0.6166 8.5539 -2.2270 F 1 noname -0.1630 8 C6 1.1639 6.5650 -1.1499 C.2 1 noname -0.0031 9 C7 1.8249 4.3927 -0.0060 C.3 1 noname 0.0253 10 N1 0.6707 3.8379 -0.5959 N.3 1 noname -0.1416 11 C8 0.2801 2.5987 -0.3610 C.2 1 noname -0.0287 12 C9 -0.5012 2.3993 0.8128 C.2 1 noname -0.0623 13 C10 0.7209 1.5805 -1.2514 C.2 1 noname -0.0623 14 C11 -0.7755 1.0611 1.1347 C.2 1 noname -0.0442 15 C12 0.4171 0.2473 -0.8659 C.2 1 noname -0.0442 16 C13 -0.3189 -0.0394 0.3460 C.2 1 noname -0.0686 17 C14 -0.6522 -1.3771 0.8141 C.2 1 noname -0.0356 18 C15 -0.2659 -2.5257 0.0358 C.2 1 noname 0.0377 19 C16 -1.3901 -1.7286 2.0266 C.2 1 noname 0.0146 20 N2 -0.5711 -3.7884 0.3982 N.2 1 noname -0.2650 21 N3 0.4173 -2.5669 -1.1322 N.3 1 noname -0.1127 22 N4 -1.6488 -3.0233 2.3071 N.2 1 noname -0.2833 23 C17 -2.0670 -1.1033 3.2310 C.3 1 noname 0.0441 24 C18 -1.2562 -4.0394 1.5241 C.2 1 noname 0.0700 25 C19 -2.2735 0.3297 3.7534 C.3 1 noname -0.0598 26 N5 -1.5423 -5.2830 1.8643 N.3 1 noname -0.0807 27 H1 2.9340 9.5115 -1.2883 H 1 noname 0.0684 28 H2 3.9471 5.7912 0.7244 H 1 noname 0.0656 29 H3 0.2289 6.1290 -1.5017 H 1 noname 0.0656 30 H4 2.6570 3.8240 -0.4213 H 1 noname 0.0482 31 H5 1.6328 4.3729 1.0667 H 1 noname 0.0482 32 H6 0.0846 4.3632 -1.2288 H 1 noname 0.1285 33 H7 -0.8673 3.2215 1.4278 H 1 noname 0.0639 34 H8 1.2582 1.8079 -2.1721 H 1 noname 0.0639 35 H9 -1.3654 0.8693 2.0310 H 1 noname 0.0629 36 H10 0.7532 -0.5664 -1.5085 H 1 noname 0.0629 37 H11 -0.0828 -2.5823 -2.0095 H 1 noname 0.1258 38 H12 1.4272 -2.5823 -1.1262 H 1 noname 0.1258 39 H13 -3.0959 -1.4234 3.0671 H 1 noname 0.0329 40 H14 -1.4810 -1.5443 4.0374 H 1 noname 0.0329 41 H15 -2.2725 0.3228 4.8434 H 1 noname 0.0234 42 H16 -1.4663 0.9676 3.3933 H 1 noname 0.0234 43 H17 -3.2281 0.7136 3.3933 H 1 noname 0.0234 44 H18 -2.5042 -5.5624 1.9945 H 1 noname 0.1273 45 H19 -0.7993 -5.9546 1.9945 H 1 noname 0.1273 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 1 7 5 8 2 8 6 9 1 9 6 8 1 10 9 10 1 11 10 11 1 12 11 12 2 13 11 13 1 14 12 14 1 15 13 15 2 16 14 16 2 17 15 16 1 18 16 17 1 19 17 18 2 20 17 19 1 21 18 20 1 22 18 21 1 23 19 22 2 24 19 23 1 25 20 24 2 26 22 24 1 27 23 25 1 28 24 26 1 29 3 27 1 30 4 28 1 31 8 29 1 32 9 30 1 33 9 31 1 34 10 32 1 35 12 33 1 36 13 34 1 37 14 35 1 38 15 36 1 39 21 37 1 40 21 38 1 41 23 39 1 42 23 40 1 43 25 41 1 44 25 42 1 45 25 43 1 46 26 44 1 47 26 45 1 @SUBSTRUCTURE 1 noname 1