@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447868 57 61 1 SMALL USER_CHARGES @ATOM 1 F1 32.8086 -30.1490 1.4750 F 1 noname -0.1287 2 C1 33.7216 -29.2239 1.4070 C.2 1 noname 0.0772 3 N1 34.9836 -29.4929 1.8171 N.2 1 noname -0.2400 4 C2 33.4095 -27.9478 0.9091 C.2 1 noname 0.0174 5 C3 35.9736 -28.5718 1.7681 C.2 1 noname 0.0071 6 C4 34.4035 -26.9427 0.8351 C.2 1 noname 0.0015 7 C5 35.7025 -27.2847 1.2782 C.2 1 noname -0.0377 8 N2 34.1095 -25.6787 0.3451 N.3 1 noname -0.1304 9 C6 35.0925 -24.6336 0.2582 C.3 1 noname 0.0268 10 C7 32.7874 -25.3496 -0.1028 C.3 1 noname -0.0083 11 C8 35.3324 -23.9755 1.6263 C.3 1 noname 0.0665 12 O1 36.3285 -22.9594 1.4793 O.3 1 noname -0.2736 13 C9 36.7744 -22.2144 2.5324 C.2 1 noname -0.0024 14 C10 37.8084 -21.2953 2.2784 C.2 1 noname -0.0299 15 C11 36.2584 -22.3213 3.8425 C.2 1 noname -0.0536 16 C12 38.3404 -20.5022 3.3155 C.2 1 noname -0.0227 17 C13 36.7704 -21.5212 4.8766 C.2 1 noname -0.0537 18 N3 39.3264 -19.6021 3.0845 N.3 1 noname -0.0066 19 C14 37.8063 -20.6102 4.6126 C.2 1 noname -0.0701 20 C15 40.6174 -19.8841 2.7606 C.2 1 noname 0.0218 21 C16 41.1804 -21.1411 2.4986 C.2 1 noname 0.0667 22 C17 41.6224 -18.9380 2.5296 C.2 1 noname 0.0619 23 O2 40.6263 -22.2571 2.5987 O.2 1 noname -0.2824 24 N4 42.4304 -20.9761 2.0717 N.3 1 noname 0.0817 25 C18 42.7214 -19.6750 2.0566 C.2 1 noname 0.0739 26 C19 41.5993 -17.5239 2.7037 C.2 1 noname -0.0147 27 O3 43.8414 -19.2320 1.7227 O.2 1 noname -0.2850 28 C20 40.7993 -16.7049 3.5157 C.2 1 noname -0.0236 29 C21 42.4613 -16.6318 2.0497 C.2 1 noname -0.0808 30 C22 41.1742 -15.3808 3.2718 C.2 1 noname -0.0830 31 C23 39.8362 -16.9758 4.5088 C.2 1 noname -0.0371 32 N5 42.1743 -15.3658 2.3857 N.3 1 noname -0.0528 33 C24 40.5672 -14.2987 3.9289 C.2 1 noname -0.0434 34 C25 39.2141 -15.9037 5.1799 C.2 1 noname -0.0536 35 C26 39.5711 -14.5717 4.8839 C.2 1 noname -0.0511 36 H1 32.4555 -27.7608 0.6021 H 1 noname 0.0687 37 H2 36.9116 -28.8128 2.0882 H 1 noname 0.0840 38 H3 36.4625 -26.6066 1.2512 H 1 noname 0.0655 39 H4 34.7594 -23.8495 -0.4227 H 1 noname 0.0458 40 H5 36.0325 -25.0136 -0.1437 H 1 noname 0.0458 41 H6 32.7173 -24.3115 -0.4327 H 1 noname 0.0398 42 H7 32.5093 -25.9906 -0.9408 H 1 noname 0.0398 43 H8 32.0743 -25.4876 0.7112 H 1 noname 0.0398 44 H9 35.6704 -24.7235 2.3443 H 1 noname 0.0585 45 H10 34.3974 -23.5355 1.9753 H 1 noname 0.0585 46 H11 38.1844 -21.2102 1.3334 H 1 noname 0.0666 47 H12 35.5073 -22.9803 4.0475 H 1 noname 0.0650 48 H13 36.3903 -21.6012 5.8196 H 1 noname 0.0624 49 H14 39.0873 -18.6691 3.1736 H 1 noname 0.1343 50 H15 38.1733 -20.0291 5.3677 H 1 noname 0.0639 51 H16 43.0334 -21.6880 1.8107 H 1 noname 0.1407 52 H17 43.1863 -16.8928 1.3807 H 1 noname 0.0795 53 H18 39.6031 -17.9288 4.7769 H 1 noname 0.0629 54 H19 42.6262 -14.5747 2.0548 H 1 noname 0.1522 55 H20 40.8511 -13.3386 3.7299 H 1 noname 0.0642 56 H21 38.5110 -16.0927 5.8940 H 1 noname 0.0622 57 H22 39.1170 -13.8036 5.3790 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 10 1 14 9 11 1 15 9 39 1 16 9 40 1 17 10 41 1 18 10 42 1 19 10 43 1 20 11 12 1 21 11 44 1 22 11 45 1 23 12 13 1 24 13 14 2 25 13 15 1 26 14 16 1 27 14 46 1 28 15 17 2 29 15 47 1 30 16 18 1 31 16 19 2 32 17 19 1 33 17 48 1 34 18 20 1 35 18 49 1 36 19 50 1 37 20 21 1 38 20 22 2 39 21 23 2 40 21 24 1 41 22 25 1 42 22 26 1 43 24 25 1 44 24 51 1 45 25 27 2 46 26 28 1 47 26 29 2 48 28 30 2 49 28 31 1 50 29 32 1 51 29 52 1 52 30 33 1 53 30 32 1 54 31 34 2 55 31 53 1 56 32 54 1 57 33 35 2 58 33 55 1 59 34 35 1 60 34 56 1 61 35 57 1 @SUBSTRUCTURE 1 noname 1