@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442820 56 59 1 SMALL USER_CHARGES @ATOM 1 F1 6.8045 -1.9408 -1.5877 F 1 noname -0.1507 2 C1 7.5764 -1.5428 -0.6197 C.2 1 noname 0.0766 3 C2 7.9093 -2.3237 0.5182 C.2 1 noname 0.0471 4 C3 8.1053 -0.2448 -0.7407 C.2 1 noname 0.0549 5 N1 7.5143 -3.5947 0.8393 N.3 1 noname -0.1249 6 C4 8.7653 -1.7567 1.4853 C.2 1 noname 0.0118 7 N2 8.9233 0.2522 0.2173 N.2 1 noname -0.2431 8 C5 6.7083 -4.4936 0.2083 C.2 1 noname 0.0868 9 C6 9.2673 -0.4576 1.3163 C.2 1 noname -0.0013 10 O1 6.1492 -4.2656 -0.8866 O.2 1 noname -0.2773 11 C7 6.5032 -5.7586 0.8053 C.2 1 noname -0.0051 12 C8 6.4952 -5.9095 2.2094 C.2 1 noname 0.0035 13 C9 6.3122 -6.9045 0.0064 C.2 1 noname -0.0089 14 C10 6.3151 -7.1725 2.8204 C.2 1 noname -0.0156 15 C11 6.1191 -8.1615 0.5954 C.2 1 noname -0.0322 16 C12 6.3931 -7.2505 4.2364 C.2 1 noname -0.0212 17 C13 6.1091 -8.3125 1.9974 C.2 1 noname -0.0128 18 C14 7.3260 -8.1114 4.8535 C.2 1 noname 0.0087 19 C15 5.5621 -6.4575 5.0565 C.2 1 noname -0.0207 20 C16 5.8521 -9.6724 2.5215 C.3 1 noname 0.0185 21 C17 7.4270 -8.2144 6.2595 C.2 1 noname 0.0015 22 C18 5.6490 -6.5434 6.4555 C.2 1 noname -0.0380 23 N3 7.0460 -10.5043 2.3605 N.3 1 noname -0.3264 24 C19 8.3430 -9.0823 6.8315 C.2 1 noname 0.0879 25 C20 6.5730 -7.4163 7.0506 C.2 1 noname -0.0038 26 O2 8.4249 -9.2062 8.0476 O.2 1 noname -0.2583 27 O3 9.1439 -9.8013 6.0446 O.3 1 noname -0.2074 28 C21 10.0719 -10.7382 6.5936 C.3 1 noname 0.0596 29 C22 10.8368 -11.4132 5.4457 C.3 1 noname -0.0172 30 C23 9.9668 -12.0101 4.3317 C.3 1 noname -0.0482 31 C24 11.4758 -10.4631 4.4248 C.3 1 noname -0.0482 32 C25 10.4728 -10.9331 3.3678 C.3 1 noname -0.0526 33 H1 7.8763 0.3312 -1.5516 H 1 noname 0.0871 34 H2 7.8802 -3.9217 1.6753 H 1 noname 0.1375 35 H3 9.0302 -2.2866 2.3173 H 1 noname 0.0656 36 H4 9.8872 -0.0496 2.0163 H 1 noname 0.0839 37 H5 6.6412 -5.0865 2.7974 H 1 noname 0.0637 38 H6 6.3151 -6.8295 -1.0124 H 1 noname 0.0630 39 H7 5.9771 -8.9754 -0.0044 H 1 noname 0.0626 40 H8 7.9440 -8.6774 4.2665 H 1 noname 0.0637 41 H9 4.8840 -5.8174 4.6405 H 1 noname 0.0629 42 H10 5.5750 -9.6564 3.5755 H 1 noname 0.0476 43 H11 5.0240 -10.1283 1.9755 H 1 noname 0.0476 44 H12 5.0380 -5.9714 7.0395 H 1 noname 0.0623 45 H13 7.2290 -10.5703 1.3566 H 1 noname 0.1187 46 H14 6.7990 -11.4433 2.6796 H 1 noname 0.1187 47 H15 6.6199 -7.4683 8.0696 H 1 noname 0.0631 48 H16 10.7798 -10.2222 7.2446 H 1 noname 0.0576 49 H17 9.5378 -11.4982 7.1656 H 1 noname 0.0576 50 H18 11.5338 -12.1191 5.9007 H 1 noname 0.0326 51 H19 10.2457 -13.0251 4.0458 H 1 noname 0.0270 52 H20 8.8908 -12.0021 4.5078 H 1 noname 0.0270 53 H21 12.5137 -10.6991 4.1868 H 1 noname 0.0270 54 H22 11.4287 -9.4011 4.6658 H 1 noname 0.0270 55 H23 10.9067 -11.3031 2.4378 H 1 noname 0.0267 56 H24 9.7217 -10.1861 3.1098 H 1 noname 0.0267 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 33 1 8 5 8 1 9 5 34 1 10 6 9 2 11 6 35 1 12 7 9 1 13 8 10 2 14 8 11 1 15 9 36 1 16 11 12 2 17 11 13 1 18 12 14 1 19 12 37 1 20 13 15 2 21 13 38 1 22 14 16 1 23 14 17 2 24 15 17 1 25 15 39 1 26 16 18 2 27 16 19 1 28 17 20 1 29 18 21 1 30 18 40 1 31 19 22 2 32 19 41 1 33 20 23 1 34 20 42 1 35 20 43 1 36 21 24 1 37 21 25 2 38 22 25 1 39 22 44 1 40 23 45 1 41 23 46 1 42 24 26 2 43 24 27 1 44 25 47 1 45 27 28 1 46 28 29 1 47 28 48 1 48 28 49 1 49 29 30 1 50 29 31 1 51 29 50 1 52 30 32 1 53 30 51 1 54 30 52 1 55 31 32 1 56 31 53 1 57 31 54 1 58 32 55 1 59 32 56 1 @SUBSTRUCTURE 1 noname 1