@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446985 43 46 1 SMALL USER_CHARGES @ATOM 1 Cl1 20.1128 -8.0984 5.0452 Cl 1 noname -0.0395 2 C1 20.6917 -8.7844 3.6141 C.2 1 noname 0.0585 3 N1 20.2687 -10.0205 3.2502 N.2 1 noname -0.1792 4 C2 21.6038 -8.0943 2.7971 C.2 1 noname 0.0147 5 C3 20.6867 -10.6385 2.1181 C.2 1 noname 0.0583 6 C4 22.0598 -8.7044 1.6171 C.2 1 noname -0.0054 7 N2 20.2186 -11.8716 1.8241 N.2 1 noname -0.2212 8 C5 21.6057 -9.9904 1.2591 C.2 1 noname 0.0020 9 C6 20.6086 -12.5206 0.7061 C.2 1 noname 0.0959 10 C7 22.0027 -10.6844 0.0970 C.2 1 noname 0.0594 11 N3 21.4846 -11.9185 -0.1299 N.2 1 noname -0.2282 12 N4 20.1105 -13.7456 0.4471 N.3 1 noname -0.0606 13 N5 22.8877 -10.1264 -0.7709 N.3 1 noname 0.0403 14 C8 20.4435 -14.5086 -0.7079 C.3 1 noname 0.0715 15 C9 23.3477 -10.6933 -1.9120 C.2 1 noname 0.0348 16 C10 19.5174 -15.6497 -0.8028 C.2 1 noname 0.0640 17 C11 21.9006 -15.0076 -0.6528 C.3 1 noname -0.0420 18 N6 23.0336 -11.8934 -2.4290 N.2 1 noname -0.2137 19 C12 24.2628 -10.0902 -2.7650 C.2 1 noname -0.1113 20 N7 19.4463 -16.5687 0.1942 N.2 1 noname -0.1930 21 N8 18.7172 -15.7976 -1.8879 N.2 1 noname -0.1930 22 C13 23.7346 -12.0244 -3.5680 C.2 1 noname -0.0438 23 N9 24.4857 -10.9313 -3.7830 N.3 1 noname -0.0743 24 C14 18.6011 -17.6258 0.1312 C.2 1 noname 0.0702 25 C15 17.8531 -16.8347 -2.0028 C.2 1 noname 0.0702 26 C16 25.3508 -10.7192 -4.8891 C.3 1 noname -0.0673 27 C17 17.7670 -17.7947 -0.9827 C.2 1 noname 0.0914 28 F1 16.9449 -18.8018 -1.0687 F 1 noname -0.1490 29 H1 21.9357 -7.1622 3.0522 H 1 noname 0.0655 30 H2 22.7218 -8.2033 1.0241 H 1 noname 0.0632 31 H3 19.4674 -14.1146 1.0732 H 1 noname 0.1320 32 H4 23.2237 -9.2432 -0.5549 H 1 noname 0.1373 33 H5 20.3204 -13.8886 -1.5989 H 1 noname 0.0550 34 H6 22.0665 -15.5886 0.2552 H 1 noname 0.0251 35 H7 22.5856 -14.1595 -0.6618 H 1 noname 0.0251 36 H8 22.1125 -15.6316 -1.5229 H 1 noname 0.0251 37 H9 24.6867 -9.1701 -2.6389 H 1 noname 0.0825 38 H10 23.6976 -12.8394 -4.1820 H 1 noname 0.1015 39 H11 18.5751 -18.2978 0.8994 H 1 noname 0.0872 40 H12 17.2670 -16.9147 -2.8339 H 1 noname 0.0872 41 H13 24.7767 -10.7622 -5.8161 H 1 noname 0.0436 42 H14 26.1178 -11.4942 -4.9080 H 1 noname 0.0436 43 H15 25.8368 -9.7441 -4.8220 H 1 noname 0.0436 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 4 29 1 7 5 7 2 8 5 8 1 9 6 8 1 10 6 30 1 11 7 9 1 12 8 10 2 13 9 11 2 14 9 12 1 15 10 13 1 16 10 11 1 17 12 14 1 18 12 31 1 19 13 15 1 20 13 32 1 21 14 16 1 22 14 17 1 23 14 33 1 24 15 18 1 25 15 19 2 26 16 20 2 27 16 21 1 28 17 34 1 29 17 35 1 30 17 36 1 31 18 22 2 32 19 23 1 33 19 37 1 34 20 24 1 35 21 25 2 36 22 23 1 37 22 38 1 38 23 26 1 39 24 27 2 40 24 39 1 41 25 27 1 42 25 40 1 43 26 41 1 44 26 42 1 45 26 43 1 46 27 28 1 @SUBSTRUCTURE 1 noname 1