@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3204 56 58 1 SMALL USER_CHARGES @ATOM 1 O1 4.7888 -2.4359 1.5654 O.2 1 noname -0.2568 2 C1 5.4638 -3.0719 0.7664 C.2 1 noname 0.0978 3 O2 6.1988 -2.4358 -0.1475 O.3 1 noname -0.2088 4 C2 5.4337 -4.4539 0.7815 C.2 1 noname 0.0413 5 C3 6.2868 -1.0107 -0.1285 C.3 1 noname 0.0457 6 C4 6.6078 -5.2440 0.6305 C.2 1 noname 0.0566 7 C5 4.1856 -5.0969 0.9415 C.2 1 noname -0.0081 8 C6 6.4987 -6.6550 0.6455 C.2 1 noname 0.0518 9 C7 7.8598 -4.6599 0.4995 C.2 1 noname 0.1032 10 C8 4.0916 -6.4960 0.9496 C.2 1 noname -0.0187 11 O3 7.5948 -7.4400 0.5226 O.3 1 noname -0.2772 12 C9 5.2476 -7.2740 0.8016 C.2 1 noname 0.0021 13 O4 8.2288 -3.8867 1.3736 O.2 1 noname -0.2873 14 C10 8.7048 -4.8988 -0.5714 C.2 1 noname 0.0529 15 C11 8.2747 -4.7058 -1.9025 C.2 1 noname 0.0604 16 C12 10.0259 -5.3419 -0.3423 C.2 1 noname 0.0604 17 O5 7.0186 -4.2837 -2.1744 O.3 1 noname -0.2755 18 C13 9.1497 -4.9478 -2.9765 C.2 1 noname 0.0191 19 O6 10.4758 -5.5568 0.9157 O.3 1 noname -0.2755 20 C14 10.8939 -5.5828 -1.4214 C.2 1 noname 0.0191 21 C15 10.4718 -5.3898 -2.7544 C.2 1 noname 0.0281 22 C16 11.3248 -5.6278 -3.8205 C.2 1 noname 0.0940 23 O7 12.4178 -6.1498 -3.6424 O.2 1 noname -0.2575 24 O8 10.9577 -5.2877 -5.0595 O.3 1 noname -0.2071 25 C17 11.8147 -5.5727 -6.1675 C.3 1 noname 0.0571 26 C18 11.1607 -5.0776 -7.4646 C.3 1 noname -0.0249 27 C19 9.8196 -5.7976 -7.7116 C.3 1 noname -0.0257 28 C20 9.1495 -5.3115 -8.9346 C.2 1 noname -0.0668 29 C21 9.7255 -5.5465 -10.2007 C.2 1 noname -0.0480 30 C22 7.9253 -4.6165 -8.8566 C.2 1 noname -0.0480 31 C23 9.0894 -5.0895 -11.3687 C.2 1 noname -0.0314 32 C24 7.2893 -4.1594 -10.0236 C.2 1 noname -0.0314 33 C25 7.8713 -4.3944 -11.2806 C.2 1 noname -0.0019 34 O9 7.2552 -3.9503 -12.3987 O.3 1 noname -0.2861 35 H1 6.7108 -0.6776 0.8206 H 1 noname 0.0536 36 H2 5.2957 -0.5726 -0.2584 H 1 noname 0.0536 37 H3 6.9318 -0.6836 -0.9425 H 1 noname 0.0536 38 H4 3.3335 -4.5428 1.0505 H 1 noname 0.0631 39 H5 3.1835 -6.9469 1.0646 H 1 noname 0.0623 40 H6 7.4157 -8.4031 0.5556 H 1 noname 0.2182 41 H7 5.1785 -8.2920 0.8116 H 1 noname 0.0650 42 H8 6.8185 -4.1707 -3.1265 H 1 noname 0.2182 43 H9 8.8137 -4.8007 -3.9295 H 1 noname 0.0658 44 H10 11.4029 -5.8688 0.9728 H 1 noname 0.2182 45 H11 11.8439 -5.9048 -1.2303 H 1 noname 0.0658 46 H12 12.7688 -5.0616 -6.0345 H 1 noname 0.0573 47 H13 11.9897 -6.6477 -6.2365 H 1 noname 0.0573 48 H14 10.9916 -4.0025 -7.3855 H 1 noname 0.0293 49 H15 11.8447 -5.2706 -8.2926 H 1 noname 0.0293 50 H16 9.9995 -6.8696 -7.8035 H 1 noname 0.0316 51 H17 9.1795 -5.6346 -6.8425 H 1 noname 0.0316 52 H18 10.6085 -6.0525 -10.2747 H 1 noname 0.0626 53 H19 7.4943 -4.4404 -7.9484 H 1 noname 0.0626 54 H20 9.5144 -5.2634 -12.2797 H 1 noname 0.0650 55 H21 6.4042 -3.6553 -9.9565 H 1 noname 0.0650 56 H22 7.7272 -4.1513 -13.2327 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 35 1 8 5 36 1 9 5 37 1 10 6 8 1 11 6 9 1 12 7 10 2 13 7 38 1 14 8 11 1 15 8 12 2 16 9 13 2 17 9 14 1 18 10 12 1 19 10 39 1 20 11 40 1 21 12 41 1 22 14 15 2 23 14 16 1 24 15 17 1 25 15 18 1 26 16 19 1 27 16 20 2 28 17 42 1 29 18 21 2 30 18 43 1 31 19 44 1 32 20 21 1 33 20 45 1 34 21 22 1 35 22 23 2 36 22 24 1 37 24 25 1 38 25 26 1 39 25 46 1 40 25 47 1 41 26 27 1 42 26 48 1 43 26 49 1 44 27 28 1 45 27 50 1 46 27 51 1 47 28 29 2 48 28 30 1 49 29 31 1 50 29 52 1 51 30 32 2 52 30 53 1 53 31 33 2 54 31 54 1 55 32 33 1 56 32 55 1 57 33 34 1 58 34 56 1 @SUBSTRUCTURE 1 noname 1