@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447871 54 58 1 SMALL USER_CHARGES @ATOM 1 F1 35.2136 -18.9880 -0.4326 F 1 noname -0.1287 2 C1 34.6396 -20.0039 0.1453 C.2 1 noname 0.0768 3 N1 35.3055 -20.6998 1.1003 N.2 1 noname -0.2408 4 C2 33.3366 -20.3848 -0.2126 C.2 1 noname 0.0160 5 C3 34.7645 -21.7657 1.7393 C.2 1 noname 0.0067 6 C4 32.7406 -21.4887 0.4303 C.2 1 noname 0.0003 7 C5 33.4645 -22.1826 1.4163 C.2 1 noname -0.0390 8 N2 31.4916 -21.9256 0.1394 N.3 1 noname -0.1383 9 C6 30.6426 -21.3566 -0.8484 C.3 1 noname 0.0241 10 C7 29.3167 -22.1265 -0.9024 C.3 1 noname 0.0663 11 O1 29.5956 -23.5154 -1.0893 O.3 1 noname -0.2711 12 C8 28.5886 -24.4334 -1.1073 C.2 1 noname -0.0040 13 C9 28.7105 -25.5823 -0.2973 C.2 1 noname -0.0041 14 C10 27.4536 -24.2743 -1.9272 C.2 1 noname -0.0330 15 N3 29.7694 -25.7362 0.5326 N.3 1 noname 0.0012 16 C11 27.6845 -26.5452 -0.2862 C.2 1 noname -0.0506 17 C12 26.4396 -25.2472 -1.9262 C.2 1 noname -0.0750 18 C13 31.0603 -25.9382 0.1577 C.2 1 noname 0.0233 19 C14 26.5546 -26.3811 -1.1042 C.2 1 noname -0.0737 20 C15 31.5403 -26.2261 -1.1261 C.2 1 noname 0.0669 21 C16 32.1542 -26.0091 1.0257 C.2 1 noname 0.0621 22 O2 30.8783 -26.2891 -2.1840 O.2 1 noname -0.2824 23 N4 32.8402 -26.5081 -1.0471 N.3 1 noname 0.0817 24 C17 33.2351 -26.4061 0.2238 C.2 1 noname 0.0739 25 C18 32.2152 -25.7501 2.4237 C.2 1 noname -0.0147 26 O3 34.4170 -26.5900 0.5888 O.2 1 noname -0.2850 27 C19 31.3942 -24.9661 3.2487 C.2 1 noname -0.0236 28 C20 33.1991 -26.2550 3.2827 C.2 1 noname -0.0808 29 C21 31.8851 -25.0791 4.5527 C.2 1 noname -0.0830 30 C22 30.3212 -24.0891 2.9887 C.2 1 noname -0.0371 31 N5 32.9670 -25.8640 4.5437 N.3 1 noname -0.0528 32 C23 31.2961 -24.4050 5.6327 C.2 1 noname -0.0434 33 C24 29.7152 -23.4041 4.0607 C.2 1 noname -0.0536 34 C25 30.1941 -23.5680 5.3767 C.2 1 noname -0.0511 35 H1 32.8326 -19.8648 -0.9305 H 1 noname 0.0687 36 H2 35.3014 -22.2626 2.4513 H 1 noname 0.0840 37 H3 33.0545 -22.9845 1.8944 H 1 noname 0.0655 38 H4 31.1556 -22.6966 0.6234 H 1 noname 0.1282 39 H5 31.1226 -21.4156 -1.8273 H 1 noname 0.0456 40 H6 30.4356 -20.3116 -0.6104 H 1 noname 0.0456 41 H7 28.7187 -21.7395 -1.7283 H 1 noname 0.0585 42 H8 28.7787 -21.9765 0.0355 H 1 noname 0.0585 43 H9 27.3666 -23.4553 -2.5282 H 1 noname 0.0650 44 H10 29.5854 -25.7042 1.4826 H 1 noname 0.1344 45 H11 27.7595 -27.3671 0.3137 H 1 noname 0.0640 46 H12 25.6196 -25.1302 -2.5221 H 1 noname 0.0623 47 H13 25.8156 -27.0851 -1.1001 H 1 noname 0.0623 48 H14 33.4071 -26.7560 -1.7920 H 1 noname 0.1407 49 H15 33.9690 -26.8649 3.0067 H 1 noname 0.0795 50 H16 29.9942 -23.9140 2.0418 H 1 noname 0.0629 51 H17 33.5050 -26.0960 5.3177 H 1 noname 0.1522 52 H18 31.6660 -24.5060 6.5777 H 1 noname 0.0642 53 H19 28.9342 -22.7730 3.8808 H 1 noname 0.0622 54 H20 29.7511 -23.0630 6.1437 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 4 35 1 7 5 7 2 8 5 36 1 9 6 8 1 10 6 7 1 11 7 37 1 12 8 9 1 13 8 38 1 14 9 10 1 15 9 39 1 16 9 40 1 17 10 11 1 18 10 41 1 19 10 42 1 20 11 12 1 21 12 13 2 22 12 14 1 23 13 15 1 24 13 16 1 25 14 17 2 26 14 43 1 27 15 18 1 28 15 44 1 29 16 19 2 30 16 45 1 31 17 19 1 32 17 46 1 33 18 20 1 34 18 21 2 35 19 47 1 36 20 22 2 37 20 23 1 38 21 24 1 39 21 25 1 40 23 24 1 41 23 48 1 42 24 26 2 43 25 27 1 44 25 28 2 45 27 29 2 46 27 30 1 47 28 31 1 48 28 49 1 49 29 32 1 50 29 31 1 51 30 33 2 52 30 50 1 53 31 51 1 54 32 34 2 55 32 52 1 56 33 34 1 57 33 53 1 58 34 54 1 @SUBSTRUCTURE 1 noname 1