@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3232 59 62 1 SMALL USER_CHARGES @ATOM 1 O1 6.1061 -3.6605 -0.4352 O.2 1 noname -0.2572 2 C1 6.8741 -4.3015 0.2707 C.2 1 noname 0.0951 3 O2 6.4990 -5.4934 0.7388 O.3 1 noname -0.2035 4 C2 8.1251 -3.8004 0.5848 C.2 1 noname 0.0282 5 C3 5.2180 -6.0384 0.4128 C.3 1 noname 0.0834 6 C4 8.4220 -2.4294 0.4308 C.2 1 noname 0.0193 7 C5 9.1380 -4.6524 1.0728 C.2 1 noname 0.0193 8 C6 5.0810 -7.4753 0.9379 C.3 1 noname 0.0413 9 C7 4.0730 -5.2613 1.0839 C.3 1 noname -0.0245 10 C8 9.6910 -1.9213 0.7568 C.2 1 noname 0.0604 11 C9 10.4110 -4.1523 1.3969 C.2 1 noname 0.0604 12 N1 5.6289 -8.4553 0.0649 N.3 1 noname -0.0742 13 C10 3.5659 -7.6533 1.0579 C.3 1 noname -0.0347 14 C11 3.0669 -6.3063 1.5849 C.3 1 noname -0.0492 15 O3 9.9179 -0.5963 0.6039 O.3 1 noname -0.2755 16 C12 10.7029 -2.7793 1.2429 C.2 1 noname 0.0530 17 O4 11.3519 -5.0153 1.8469 O.3 1 noname -0.2755 18 C13 6.9568 -8.6332 -0.1290 C.2 1 noname 0.0093 19 C14 11.9579 -2.2942 1.5749 C.2 1 noname 0.1013 20 O5 7.7648 -7.9232 0.5140 O.2 1 noname -0.2963 21 C15 7.4348 -9.6222 -1.0199 C.2 1 noname -0.0244 22 O6 12.3998 -2.5222 2.6920 O.2 1 noname -0.2873 23 C16 12.7428 -1.5552 0.7010 C.2 1 noname 0.0465 24 C17 6.6077 -10.1451 -2.0409 C.2 1 noname -0.0079 25 C18 8.7567 -10.1101 -0.9089 C.2 1 noname -0.0079 26 C19 13.1828 -2.1521 -0.5039 C.2 1 noname 0.0469 27 C20 13.1278 -0.2162 0.9850 C.2 1 noname 0.0387 28 C21 7.0877 -11.1301 -2.9209 C.2 1 noname -0.0175 29 C22 9.2377 -11.0951 -1.7888 C.2 1 noname -0.0175 30 O7 12.8487 -3.4281 -0.8088 O.3 1 noname -0.2773 31 C23 13.9817 -1.4341 -1.4088 C.2 1 noname -0.0125 32 C24 12.7487 0.4028 2.0701 C.1 1 noname 0.0721 33 C25 13.9307 0.4938 0.0681 C.2 1 noname -0.0206 34 C26 8.4026 -11.6071 -2.7948 C.2 1 noname 0.0141 35 C27 14.3546 -0.1131 -1.1238 C.2 1 noname -0.0240 36 N2 12.4147 0.9518 3.0221 N.1 1 noname -0.1822 37 O8 8.8576 -12.5550 -3.6438 O.3 1 noname -0.2838 38 H1 5.0700 -6.0393 -0.6701 H 1 noname 0.0626 39 H2 7.7060 -1.7903 0.0828 H 1 noname 0.0658 40 H3 8.9520 -5.6493 1.1919 H 1 noname 0.0658 41 H4 5.5259 -7.5533 1.9329 H 1 noname 0.0496 42 H5 4.4519 -4.6843 1.9279 H 1 noname 0.0294 43 H6 3.6039 -4.5913 0.3619 H 1 noname 0.0294 44 H7 5.0159 -9.0422 -0.4030 H 1 noname 0.1317 45 H8 3.1299 -7.8432 0.0749 H 1 noname 0.0283 46 H9 3.3139 -8.4643 1.7429 H 1 noname 0.0283 47 H10 3.0649 -6.3183 2.6760 H 1 noname 0.0268 48 H11 2.0629 -6.0943 1.2160 H 1 noname 0.0268 49 H12 9.1499 -0.0832 0.2740 H 1 noname 0.2182 50 H13 11.0529 -5.9462 1.9200 H 1 noname 0.2182 51 H14 5.6507 -9.8101 -2.1558 H 1 noname 0.0631 52 H15 9.3797 -9.7511 -0.1828 H 1 noname 0.0631 53 H16 6.4796 -11.4980 -3.6528 H 1 noname 0.0650 54 H17 10.1936 -11.4381 -1.6928 H 1 noname 0.0650 55 H18 13.2017 -3.7521 -1.6628 H 1 noname 0.2182 56 H19 14.2937 -1.8720 -2.2758 H 1 noname 0.0650 57 H20 14.2137 1.4588 0.2561 H 1 noname 0.0636 58 H21 14.9346 0.4079 -1.7827 H 1 noname 0.0624 59 H22 9.7845 -12.8310 -3.4877 H 1 noname 0.2181 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 8 1 8 5 9 1 9 5 38 1 10 6 10 1 11 6 39 1 12 7 11 2 13 7 40 1 14 8 12 1 15 8 13 1 16 8 41 1 17 9 14 1 18 9 42 1 19 9 43 1 20 10 15 1 21 10 16 2 22 11 17 1 23 11 16 1 24 12 18 1 25 12 44 1 26 13 14 1 27 13 45 1 28 13 46 1 29 14 47 1 30 14 48 1 31 15 49 1 32 16 19 1 33 17 50 1 34 18 20 2 35 18 21 1 36 19 22 2 37 19 23 1 38 21 24 2 39 21 25 1 40 23 26 2 41 23 27 1 42 24 28 1 43 24 51 1 44 25 29 2 45 25 52 1 46 26 30 1 47 26 31 1 48 27 32 1 49 27 33 2 50 28 34 2 51 28 53 1 52 29 34 1 53 29 54 1 54 30 55 1 55 31 35 2 56 31 56 1 57 32 36 3 58 33 35 1 59 33 57 1 60 34 37 1 61 35 58 1 62 37 59 1 @SUBSTRUCTURE 1 noname 1