@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446456 44 47 1 SMALL USER_CHARGES @ATOM 1 F1 2.5139 -10.8679 0.8663 F 1 noname -0.1661 2 C1 2.2189 -10.1309 -0.2575 C.3 1 noname 0.4161 3 F2 1.6548 -8.9538 0.1724 F 1 noname -0.1661 4 F3 1.2708 -10.8348 -0.9605 F 1 noname -0.1661 5 C2 3.3939 -9.8498 -1.1254 C.2 1 noname -0.0235 6 C3 4.6918 -10.3108 -0.8124 C.2 1 noname -0.0157 7 C4 3.2218 -9.0968 -2.3074 C.2 1 noname -0.0401 8 C5 5.7878 -10.0197 -1.6474 C.2 1 noname 0.0064 9 C6 4.3088 -8.8118 -3.1494 C.2 1 noname -0.0228 10 N1 7.0097 -10.4917 -1.3093 N.3 1 noname 0.0112 11 C7 5.6017 -9.2717 -2.8283 C.2 1 noname 0.0004 12 C8 7.9807 -9.7407 -0.7343 C.2 1 noname 0.0268 13 O1 6.6977 -9.0317 -3.6103 O.3 1 noname -0.2740 14 N2 7.7926 -8.4196 -0.4332 N.2 1 noname -0.2872 15 C9 9.2156 -10.3496 -0.4342 C.2 1 noname -0.0213 16 C10 6.6406 -8.2506 -4.8062 C.3 1 noname 0.0424 17 C11 8.7366 -7.6316 0.1487 C.2 1 noname 0.0020 18 C12 10.2016 -9.5546 0.1647 C.2 1 noname 0.0285 19 C13 9.9726 -8.2156 0.4557 C.2 1 noname -0.0585 20 N3 11.4485 -9.8626 0.5517 N.3 1 noname -0.0276 21 C14 11.1266 -7.7145 1.0398 C.2 1 noname -0.0218 22 C15 12.0375 -8.7735 1.0888 C.2 1 noname -0.0901 23 C16 13.3424 -8.7395 1.6038 C.2 1 noname 0.0181 24 C17 14.2554 -9.7845 1.6438 C.2 1 noname 0.0331 25 C18 14.0134 -7.6735 2.1868 C.2 1 noname -0.0686 26 N4 15.3903 -9.3504 2.2158 N.2 1 noname -0.2937 27 N5 15.2394 -8.1024 2.5338 N.3 1 noname -0.0269 28 C19 16.2463 -7.3254 3.1589 C.3 1 noname -0.0377 29 H1 4.8478 -10.8587 0.0335 H 1 noname 0.0646 30 H2 2.2938 -8.7527 -2.5584 H 1 noname 0.0629 31 H3 4.1518 -8.2687 -3.9973 H 1 noname 0.0650 32 H4 7.1967 -11.4277 -1.4793 H 1 noname 0.1358 33 H5 9.3896 -11.3336 -0.6452 H 1 noname 0.0676 34 H6 7.6396 -8.1966 -5.2382 H 1 noname 0.0535 35 H7 5.9686 -8.7156 -5.5302 H 1 noname 0.0535 36 H8 6.2976 -7.2396 -4.5822 H 1 noname 0.0535 37 H9 8.5476 -6.6496 0.3537 H 1 noname 0.0847 38 H10 11.8615 -10.7355 0.4627 H 1 noname 0.1528 39 H11 11.2765 -6.7605 1.3688 H 1 noname 0.0650 40 H12 14.0953 -10.7304 1.2948 H 1 noname 0.0863 41 H13 13.6454 -6.7324 2.3288 H 1 noname 0.0816 42 H14 17.1283 -7.2973 2.5199 H 1 noname 0.0453 43 H15 16.5113 -7.7824 4.1129 H 1 noname 0.0453 44 H16 15.9033 -6.3043 3.3369 H 1 noname 0.0453 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 29 1 9 7 9 2 10 7 30 1 11 8 10 1 12 8 11 2 13 9 11 1 14 9 31 1 15 10 12 1 16 10 32 1 17 11 13 1 18 12 14 2 19 12 15 1 20 13 16 1 21 14 17 1 22 15 18 2 23 15 33 1 24 16 34 1 25 16 35 1 26 16 36 1 27 17 19 2 28 17 37 1 29 18 20 1 30 18 19 1 31 19 21 1 32 20 22 1 33 20 38 1 34 21 22 2 35 21 39 1 36 22 23 1 37 23 24 1 38 23 25 2 39 24 26 2 40 24 40 1 41 25 27 1 42 25 41 1 43 26 27 1 44 27 28 1 45 28 42 1 46 28 43 1 47 28 44 1 @SUBSTRUCTURE 1 noname 1