@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444068 64 66 1 SMALL USER_CHARGES @ATOM 1 O1 24.1895 -24.2812 1.2633 O.3 1 noname -0.3930 2 C1 25.1986 -25.1613 1.7374 C.3 1 noname 0.0542 3 C2 26.5126 -24.8732 0.9964 C.3 1 noname -0.0255 4 C3 24.7595 -26.6142 1.5014 C.3 1 noname -0.0255 5 C4 27.6076 -25.8522 1.4455 C.3 1 noname -0.0349 6 C5 25.8605 -27.5883 1.9515 C.3 1 noname -0.0349 7 C6 27.1735 -27.3062 1.1925 C.3 1 noname 0.0129 8 N1 28.2215 -28.1643 1.6275 N.3 1 noname -0.0977 9 C7 28.2874 -29.4943 1.3646 C.2 1 noname 0.0572 10 N2 27.2743 -30.0123 0.6296 N.2 1 noname -0.2437 11 C8 29.3494 -30.3273 1.8096 C.2 1 noname -0.0152 12 C9 27.2063 -31.3153 0.2886 C.2 1 noname 0.0849 13 C10 30.4614 -29.8542 2.5847 C.2 1 noname 0.0195 14 C11 29.2344 -31.6853 1.4266 C.2 1 noname 0.0280 15 N3 28.1923 -32.1383 0.6947 N.2 1 noname -0.2670 16 N4 26.1832 -31.8023 -0.4373 N.3 1 noname -0.0692 17 N5 30.5344 -28.5401 2.9357 N.2 1 noname -0.2398 18 C12 31.5265 -30.6772 3.0257 C.2 1 noname -0.0118 19 C13 25.1131 -30.9892 -0.8923 C.3 1 noname 0.0029 20 C14 31.5314 -27.9741 3.6578 C.2 1 noname 0.0092 21 C15 32.5815 -30.1332 3.7748 C.2 1 noname -0.0288 22 C16 24.1190 -31.8432 -1.6903 C.3 1 noname -0.0404 23 C17 32.6004 -28.7671 4.1029 C.2 1 noname -0.0158 24 C18 22.9509 -30.9791 -2.1903 C.3 1 noname -0.0549 25 C19 33.7144 -28.1930 4.8779 C.3 1 noname 0.0222 26 C20 21.9649 -31.8271 -3.0023 C.3 1 noname -0.0653 27 N6 33.7784 -28.8209 6.2050 N.3 1 noname -0.3103 28 C21 34.8764 -28.2439 6.9921 C.3 1 noname 0.0188 29 C22 34.8643 -28.8459 8.4022 C.3 1 noname 0.0557 30 O2 33.6372 -28.5338 9.0493 O.3 1 noname -0.3949 31 H1 23.3185 -24.3922 1.6994 H 1 noname 0.2104 32 H2 25.3415 -24.9952 2.8065 H 1 noname 0.0600 33 H3 26.8305 -23.8531 1.2124 H 1 noname 0.0293 34 H4 26.3535 -24.9762 -0.0785 H 1 noname 0.0293 35 H5 23.8504 -26.8142 2.0695 H 1 noname 0.0293 36 H6 24.5555 -26.7662 0.4404 H 1 noname 0.0293 37 H7 27.8056 -25.7082 2.5086 H 1 noname 0.0283 38 H8 28.5206 -25.6452 0.8845 H 1 noname 0.0283 39 H9 26.0265 -27.4742 3.0235 H 1 noname 0.0283 40 H10 25.5245 -28.6053 1.7535 H 1 noname 0.0283 41 H11 27.0115 -27.4372 0.1205 H 1 noname 0.0468 42 H12 28.9465 -27.7592 2.1226 H 1 noname 0.1299 43 H13 29.9403 -32.3683 1.6927 H 1 noname 0.0848 44 H14 26.1802 -32.7473 -0.6543 H 1 noname 0.1312 45 H15 31.5564 -31.6722 2.8108 H 1 noname 0.0645 46 H16 25.5011 -30.1951 -1.5343 H 1 noname 0.0433 47 H17 24.6001 -30.5421 -0.0382 H 1 noname 0.0433 48 H18 31.5014 -26.9770 3.8709 H 1 noname 0.0842 49 H19 33.3434 -30.7381 4.0839 H 1 noname 0.0627 50 H20 23.7310 -32.6382 -1.0513 H 1 noname 0.0279 51 H21 24.6310 -32.2872 -2.5453 H 1 noname 0.0279 52 H22 23.3359 -30.1770 -2.8203 H 1 noname 0.0264 53 H23 22.4299 -30.5440 -1.3362 H 1 noname 0.0264 54 H24 34.6484 -28.3729 4.3429 H 1 noname 0.0479 55 H25 33.5824 -27.1149 4.9960 H 1 noname 0.0479 56 H26 21.1448 -31.1980 -3.3473 H 1 noname 0.0230 57 H27 22.4738 -32.2590 -3.8653 H 1 noname 0.0230 58 H28 21.5658 -32.6281 -2.3792 H 1 noname 0.0230 59 H29 32.9133 -28.5849 6.6971 H 1 noname 0.1226 60 H30 35.8314 -28.4698 6.5141 H 1 noname 0.0451 61 H31 34.7563 -27.1618 7.0672 H 1 noname 0.0451 62 H32 34.9773 -29.9279 8.3383 H 1 noname 0.0576 63 H33 35.6913 -28.4308 8.9793 H 1 noname 0.0576 64 H34 33.5602 -28.8888 9.9594 H 1 noname 0.2100 @BOND 1 1 2 1 2 1 31 1 3 2 3 1 4 2 4 1 5 2 32 1 6 3 5 1 7 3 33 1 8 3 34 1 9 4 6 1 10 4 35 1 11 4 36 1 12 5 7 1 13 5 37 1 14 5 38 1 15 6 7 1 16 6 39 1 17 6 40 1 18 7 8 1 19 7 41 1 20 8 9 1 21 8 42 1 22 9 10 2 23 9 11 1 24 10 12 1 25 11 13 1 26 11 14 2 27 12 15 2 28 12 16 1 29 13 17 2 30 13 18 1 31 14 15 1 32 14 43 1 33 16 19 1 34 16 44 1 35 17 20 1 36 18 21 2 37 18 45 1 38 19 22 1 39 19 46 1 40 19 47 1 41 20 23 2 42 20 48 1 43 21 23 1 44 21 49 1 45 22 24 1 46 22 50 1 47 22 51 1 48 23 25 1 49 24 26 1 50 24 52 1 51 24 53 1 52 25 27 1 53 25 54 1 54 25 55 1 55 26 56 1 56 26 57 1 57 26 58 1 58 27 28 1 59 27 59 1 60 28 29 1 61 28 60 1 62 28 61 1 63 29 30 1 64 29 62 1 65 29 63 1 66 30 64 1 @SUBSTRUCTURE 1 noname 1