@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447869 57 61 1 SMALL USER_CHARGES @ATOM 1 F1 24.1107 -28.5225 3.1218 F 1 noname -0.1287 2 C1 24.1016 -27.6525 2.1539 C.2 1 noname 0.0768 3 N1 25.1355 -27.6074 1.2780 N.2 1 noname -0.2408 4 C2 23.0277 -26.7585 2.0089 C.2 1 noname 0.0160 5 C3 25.1855 -26.7264 0.2491 C.2 1 noname 0.0067 6 C4 23.0426 -25.8275 0.9550 C.2 1 noname 0.0003 7 C5 24.1355 -25.8135 0.0642 C.2 1 noname -0.0390 8 N2 21.9907 -24.9785 0.8461 N.3 1 noname -0.1383 9 C6 21.8496 -23.9876 -0.1647 C.3 1 noname 0.0241 10 C7 20.5477 -23.2036 0.0482 C.3 1 noname 0.0662 11 O1 19.4387 -24.1075 0.0423 O.3 1 noname -0.2736 12 C8 18.1538 -23.6964 0.2503 C.2 1 noname -0.0024 13 C9 17.7668 -22.3435 0.3573 C.2 1 noname -0.0299 14 C10 17.1738 -24.6993 0.3593 C.2 1 noname -0.0536 15 C11 16.4188 -21.9975 0.5893 C.2 1 noname -0.0227 16 C12 15.8268 -24.3633 0.5703 C.2 1 noname -0.0537 17 N3 16.0008 -20.7105 0.6614 N.3 1 noname -0.0066 18 C13 15.4508 -23.0144 0.6783 C.2 1 noname -0.0701 19 C14 16.4407 -19.7425 1.5094 C.2 1 noname 0.0218 20 C15 17.3456 -19.8725 2.5733 C.2 1 noname 0.0667 21 C16 15.9447 -18.4356 1.5604 C.2 1 noname 0.0621 22 O2 17.9905 -20.8904 2.9043 O.2 1 noname -0.2824 23 N4 17.3736 -18.7315 3.2593 N.3 1 noname 0.0817 24 C17 16.5357 -17.8596 2.6964 C.2 1 noname 0.0739 25 C18 15.0138 -17.7856 0.6985 C.2 1 noname -0.0133 26 O3 16.3686 -16.6986 3.1294 O.2 1 noname -0.2850 27 C19 14.6507 -18.0445 -0.6303 C.2 1 noname -0.0226 28 C20 14.2328 -16.6826 1.0635 C.2 1 noname -0.0771 29 C21 13.6398 -17.1405 -0.9742 C.2 1 noname -0.0802 30 C22 15.1547 -18.9274 -1.6072 C.2 1 noname -0.0369 31 N5 13.4018 -16.3286 0.0676 N.3 1 noname -0.0469 32 C23 13.0508 -17.1435 -2.2501 C.2 1 noname -0.0424 33 C24 14.5757 -18.9394 -2.8910 C.2 1 noname -0.0535 34 C25 12.4498 -15.2716 0.1117 C.3 1 noname -0.0657 35 C26 13.5217 -18.0604 -3.2080 C.2 1 noname -0.0509 36 H1 22.2447 -26.7864 2.6639 H 1 noname 0.0687 37 H2 25.9834 -26.7274 -0.3867 H 1 noname 0.0840 38 H3 24.1715 -25.1505 -0.7096 H 1 noname 0.0655 39 H4 21.2757 -25.0535 1.4981 H 1 noname 0.1282 40 H5 21.8206 -24.4615 -1.1476 H 1 noname 0.0456 41 H6 22.6885 -23.2916 -0.1237 H 1 noname 0.0456 42 H7 20.4416 -22.4746 -0.7566 H 1 noname 0.0585 43 H8 20.6007 -22.6816 1.0062 H 1 noname 0.0585 44 H9 18.4647 -21.6055 0.2703 H 1 noname 0.0666 45 H10 17.4427 -25.6812 0.2823 H 1 noname 0.0650 46 H11 15.1218 -25.0972 0.6444 H 1 noname 0.0624 47 H12 15.2598 -20.4725 0.0854 H 1 noname 0.1343 48 H13 14.4689 -22.7754 0.8244 H 1 noname 0.0639 49 H14 17.9065 -18.5655 4.0513 H 1 noname 0.1407 50 H15 14.2507 -16.2276 1.9775 H 1 noname 0.0798 51 H16 15.9476 -19.5343 -1.4161 H 1 noname 0.0629 52 H17 12.3068 -16.4855 -2.4820 H 1 noname 0.0642 53 H18 14.9296 -19.5813 -3.6000 H 1 noname 0.0622 54 H19 12.4688 -14.7686 1.0807 H 1 noname 0.0436 55 H20 12.6757 -14.5417 -0.6661 H 1 noname 0.0436 56 H21 11.4489 -15.6726 -0.0541 H 1 noname 0.0436 57 H22 13.1107 -18.0744 -4.1409 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 36 1 7 5 7 2 8 5 37 1 9 6 8 1 10 6 7 1 11 7 38 1 12 8 9 1 13 8 39 1 14 9 10 1 15 9 40 1 16 9 41 1 17 10 11 1 18 10 42 1 19 10 43 1 20 11 12 1 21 12 13 2 22 12 14 1 23 13 15 1 24 13 44 1 25 14 16 2 26 14 45 1 27 15 17 1 28 15 18 2 29 16 18 1 30 16 46 1 31 17 19 1 32 17 47 1 33 18 48 1 34 19 20 1 35 19 21 2 36 20 22 2 37 20 23 1 38 21 24 1 39 21 25 1 40 23 24 1 41 23 49 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 50 1 49 29 32 1 50 29 31 1 51 30 33 2 52 30 51 1 53 31 34 1 54 32 35 2 55 32 52 1 56 33 35 1 57 33 53 1 58 34 54 1 59 34 55 1 60 34 56 1 61 35 57 1 @SUBSTRUCTURE 1 noname 1