@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446981 45 48 1 SMALL USER_CHARGES @ATOM 1 F1 11.3232 -16.0172 -5.2613 F 1 noname -0.1490 2 C1 11.8361 -16.4232 -4.1352 C.2 1 noname 0.0914 3 C2 11.0291 -16.6852 -3.0182 C.2 1 noname 0.0702 4 C3 13.2171 -16.6192 -3.9902 C.2 1 noname 0.0702 5 N1 11.5900 -17.1042 -1.8571 N.2 1 noname -0.1930 6 N2 13.7231 -17.0402 -2.8061 N.2 1 noname -0.1930 7 C4 12.9290 -17.2811 -1.7341 C.2 1 noname 0.0640 8 C5 13.5160 -17.7341 -0.4570 C.3 1 noname 0.0715 9 N3 13.1699 -16.8780 0.6289 N.3 1 noname -0.0629 10 C6 13.0249 -19.1541 -0.1260 C.3 1 noname -0.0420 11 C7 13.6269 -15.6170 0.7750 C.2 1 noname 0.0779 12 N4 14.4778 -15.0569 -0.1269 N.2 1 noname -0.2720 13 N5 13.2228 -14.8979 1.8530 N.2 1 noname -0.2623 14 C8 14.9578 -13.7878 -0.0128 C.2 1 noname 0.0395 15 C9 13.6668 -13.6309 2.0160 C.2 1 noname 0.0860 16 N6 15.7987 -13.2278 -0.9148 N.3 1 noname 0.0383 17 C10 14.5347 -13.0478 1.1001 C.2 1 noname -0.0595 18 N7 13.4027 -12.7398 2.9911 N.3 1 noname -0.0042 19 C11 16.2817 -13.8338 -2.0238 C.2 1 noname 0.0348 20 C12 14.8007 -11.7607 1.5412 C.2 1 noname -0.0336 21 C13 14.0787 -11.6028 2.7211 C.2 1 noname -0.1039 22 C14 12.5596 -12.9398 4.1172 C.3 1 noname -0.0556 23 N8 16.1526 -15.1218 -2.3828 N.2 1 noname -0.2137 24 C15 17.0237 -13.1917 -3.0058 C.2 1 noname -0.1114 25 C16 16.7906 -15.2667 -3.5557 C.2 1 noname -0.0438 26 N9 17.3246 -14.0977 -3.9448 N.3 1 noname -0.0743 27 C17 18.0666 -13.8766 -5.1348 C.3 1 noname -0.0673 28 H1 10.0180 -16.5602 -3.0741 H 1 noname 0.0872 29 H2 13.8461 -16.4441 -4.7751 H 1 noname 0.0872 30 H3 14.6029 -17.7720 -0.5530 H 1 noname 0.0550 31 H4 12.5809 -17.2250 1.3150 H 1 noname 0.1320 32 H5 11.9398 -19.1630 -0.0079 H 1 noname 0.0251 33 H6 13.4869 -19.4910 0.8020 H 1 noname 0.0251 34 H7 13.3049 -19.8400 -0.9270 H 1 noname 0.0251 35 H8 16.0727 -12.3108 -0.7578 H 1 noname 0.1373 36 H9 15.4026 -11.0687 1.0942 H 1 noname 0.0644 37 H10 14.0637 -10.7567 3.2922 H 1 noname 0.0792 38 H11 12.1296 -13.9438 4.1092 H 1 noname 0.0436 39 H12 13.1366 -12.8137 5.0342 H 1 noname 0.0436 40 H13 11.7486 -12.2117 4.1022 H 1 noname 0.0436 41 H14 17.2876 -12.2067 -3.0128 H 1 noname 0.0825 42 H15 16.8575 -16.1437 -4.0747 H 1 noname 0.1015 43 H16 17.4475 -14.1136 -6.0017 H 1 noname 0.0436 44 H17 18.9496 -14.5176 -5.1407 H 1 noname 0.0436 45 H18 18.3876 -12.8356 -5.2057 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 1 24 14 17 2 25 15 18 1 26 15 17 1 27 16 19 1 28 16 35 1 29 17 20 1 30 18 21 1 31 18 22 1 32 19 23 1 33 19 24 2 34 20 21 2 35 20 36 1 36 21 37 1 37 22 38 1 38 22 39 1 39 22 40 1 40 23 25 2 41 24 26 1 42 24 41 1 43 25 26 1 44 25 42 1 45 26 27 1 46 27 43 1 47 27 44 1 48 27 45 1 @SUBSTRUCTURE 1 noname 1