@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440170 30 32 1 SMALL USER_CHARGES @ATOM 1 S1 36.8029 -4.1058 0.3645 S.3 1 noname -0.1821 2 C1 37.4309 -5.6357 -0.1624 C.2 1 noname 0.0855 3 C2 38.2189 -3.3837 -0.3134 C.2 1 noname 0.0464 4 N1 38.6168 -5.5597 -0.7963 N.2 1 noname -0.2139 5 C3 36.7498 -6.8507 0.0595 C.2 1 noname -0.0235 6 C4 39.0779 -4.3066 -0.8903 C.2 1 noname 0.0423 7 C5 35.5087 -6.8566 0.7346 C.2 1 noname -0.0245 8 C6 37.2868 -8.0807 -0.3833 C.2 1 noname -0.0245 9 C7 40.3458 -3.9596 -1.5353 C.3 1 noname 0.0444 10 C8 34.8226 -8.0626 0.9617 C.2 1 noname -0.0504 11 C9 36.6007 -9.2866 -0.1562 C.2 1 noname -0.0504 12 S2 41.4458 -3.1725 -0.3423 S.3 1 noname -0.0332 13 C10 35.3686 -9.2776 0.5167 C.2 1 noname -0.0447 14 C11 42.8818 -2.8325 -1.2502 C.2 1 noname 0.0882 15 N2 42.9837 -3.1784 -2.5572 N.2 1 noname -0.2053 16 N3 43.9237 -2.2094 -0.6492 N.2 1 noname -0.2053 17 C12 44.1017 -2.9184 -3.2761 C.2 1 noname 0.0192 18 C13 45.0647 -1.9244 -1.3211 C.2 1 noname 0.0192 19 C14 45.1906 -2.2753 -2.6711 C.2 1 noname 0.0005 20 H1 38.4028 -2.3796 -0.2903 H 1 noname 0.0759 21 H2 35.0916 -5.9866 1.0666 H 1 noname 0.0629 22 H3 38.1818 -8.1076 -0.8742 H 1 noname 0.0629 23 H4 40.1598 -3.2755 -2.3643 H 1 noname 0.0451 24 H5 40.8208 -4.8636 -1.9193 H 1 noname 0.0451 25 H6 33.9276 -8.0555 1.4507 H 1 noname 0.0622 26 H7 36.9987 -10.1676 -0.4802 H 1 noname 0.0622 27 H8 34.8695 -10.1525 0.6808 H 1 noname 0.0622 28 H9 44.1506 -3.1914 -4.2581 H 1 noname 0.0840 29 H10 45.8337 -1.4533 -0.8421 H 1 noname 0.0840 30 H11 46.0416 -2.0713 -3.1950 H 1 noname 0.0655 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 20 1 7 4 6 1 8 5 7 2 9 5 8 1 10 6 9 1 11 7 10 1 12 7 21 1 13 8 11 2 14 8 22 1 15 9 12 1 16 9 23 1 17 9 24 1 18 10 13 2 19 10 25 1 20 11 13 1 21 11 26 1 22 12 14 1 23 13 27 1 24 14 15 2 25 14 16 1 26 15 17 1 27 16 18 2 28 17 19 2 29 17 28 1 30 18 19 1 31 18 29 1 32 19 30 1 @SUBSTRUCTURE 1 noname 1