@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446987 43 46 1 SMALL USER_CHARGES @ATOM 1 F1 2.0703 -28.7357 -0.2586 F 1 noname -0.1490 2 C1 2.7592 -27.6307 -0.3175 C.2 1 noname 0.0914 3 C2 2.5512 -26.6946 -1.3415 C.2 1 noname 0.0702 4 C3 3.7391 -27.3296 0.6393 C.2 1 noname 0.0702 5 N1 3.2821 -25.5536 -1.3784 N.2 1 noname -0.1930 6 N2 4.4410 -26.1736 0.5524 N.2 1 noname -0.1930 7 C4 4.2270 -25.2796 -0.4454 C.2 1 noname 0.0640 8 C5 5.0029 -24.0307 -0.5133 C.3 1 noname 0.0715 9 N3 4.7769 -23.2877 0.6805 N.3 1 noname -0.0606 10 C6 6.5008 -24.3446 -0.7023 C.3 1 noname -0.0420 11 C7 5.1549 -22.0057 0.8506 C.2 1 noname 0.0957 12 N4 4.8828 -21.3897 2.0216 N.2 1 noname -0.2225 13 N5 5.7888 -21.3126 -0.1232 N.2 1 noname -0.2281 14 C8 5.2357 -20.1016 2.2356 C.2 1 noname 0.0519 15 C9 6.1767 -20.0196 0.0157 C.2 1 noname 0.0602 16 N6 4.9427 -19.5196 3.4246 N.2 1 noname -0.2089 17 C10 5.9017 -19.3596 1.2317 C.2 1 noname 0.0026 18 N7 6.8156 -19.3676 -0.9921 N.3 1 noname 0.0404 19 C11 5.2627 -18.2336 3.7107 C.2 1 noname 0.0122 20 C12 6.2436 -18.0207 1.5088 C.2 1 noname -0.0144 21 C13 7.1366 -19.8885 -2.2000 C.2 1 noname 0.0348 22 C14 5.9236 -17.4506 2.7517 C.2 1 noname -0.0160 23 N8 6.8885 -21.1254 -2.6650 N.2 1 noname -0.2137 24 C15 7.8055 -19.1875 -3.1940 C.2 1 noname -0.1113 25 C16 7.3905 -21.1824 -3.9089 C.2 1 noname -0.0438 26 N9 7.9515 -20.0094 -4.2419 N.3 1 noname -0.0743 27 C17 8.5794 -19.7063 -5.4788 C.3 1 noname -0.0673 28 H1 1.8482 -26.8686 -2.0604 H 1 noname 0.0872 29 H2 3.9281 -27.9795 1.4034 H 1 noname 0.0872 30 H3 4.6559 -23.4526 -1.3723 H 1 noname 0.0550 31 H4 4.3029 -23.7206 1.4075 H 1 noname 0.1320 32 H5 6.8858 -24.8775 0.1686 H 1 noname 0.0251 33 H6 7.0618 -23.4196 -0.8302 H 1 noname 0.0251 34 H7 6.6408 -24.9605 -1.5912 H 1 noname 0.0251 35 H8 7.0666 -18.4456 -0.8331 H 1 noname 0.1373 36 H9 5.0216 -17.8366 4.6196 H 1 noname 0.0840 37 H10 6.7245 -17.4516 0.8118 H 1 noname 0.0631 38 H11 6.1675 -16.4806 2.9558 H 1 noname 0.0639 39 H12 8.1275 -18.2215 -3.1359 H 1 noname 0.0825 40 H13 7.3484 -22.0033 -4.5148 H 1 noname 0.1015 41 H14 7.8624 -19.8263 -6.2927 H 1 noname 0.0436 42 H15 9.4184 -20.3843 -5.6388 H 1 noname 0.0436 43 H16 8.9504 -18.6794 -5.4868 H 1 noname 0.0436 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 28 1 6 4 6 2 7 4 29 1 8 5 7 2 9 6 7 1 10 7 8 1 11 8 9 1 12 8 10 1 13 8 30 1 14 9 11 1 15 9 31 1 16 10 32 1 17 10 33 1 18 10 34 1 19 11 12 2 20 11 13 1 21 12 14 1 22 13 15 2 23 14 16 2 24 14 17 1 25 15 18 1 26 15 17 1 27 16 19 1 28 17 20 2 29 18 21 1 30 18 35 1 31 19 22 2 32 19 36 1 33 20 22 1 34 20 37 1 35 21 23 1 36 21 24 2 37 22 38 1 38 23 25 2 39 24 26 1 40 24 39 1 41 25 26 1 42 25 40 1 43 26 27 1 44 27 41 1 45 27 42 1 46 27 43 1 @SUBSTRUCTURE 1 noname 1