@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3855 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 -5.4822 1.1295 1.3033 O.2 1 noname -0.2984 2 C1 -4.6463 0.1985 1.2564 C.2 1 noname 0.0952 3 C2 -3.2962 0.4595 0.9054 C.2 1 noname -0.0025 4 C3 -5.1403 -1.1484 1.5794 C.3 1 noname -0.0010 5 C4 -2.3402 -0.5844 0.8465 C.2 1 noname 0.0264 6 C5 -2.8782 1.7816 0.6014 C.2 1 noname -0.0090 7 C6 -1.0152 -0.2843 0.4975 C.2 1 noname 0.0236 8 C7 -1.5442 2.0677 0.2515 C.2 1 noname -0.0187 9 N1 0.0287 -1.1093 0.3655 N.2 1 noname -0.2157 10 C8 -0.6102 1.0167 0.2135 C.2 1 noname -0.0340 11 C9 1.0607 -0.3262 0.0035 C.2 1 noname -0.0298 12 N2 0.7047 0.9768 -0.0904 N.3 1 noname -0.0157 13 C10 1.5427 2.0089 -0.4303 C.2 1 noname -0.0235 14 C11 2.5037 1.8469 -1.4554 C.2 1 noname -0.0546 15 C12 1.4876 3.2510 0.2426 C.2 1 noname -0.0546 16 C13 3.3677 2.8970 -1.8093 C.2 1 noname -0.0618 17 C14 2.3507 4.3031 -0.1092 C.2 1 noname -0.0618 18 C15 3.2896 4.1271 -1.1372 C.2 1 noname -0.0849 19 H1 -6.2034 -1.1084 1.8195 H 1 noname 0.0313 20 H2 -4.9983 -1.8104 0.7245 H 1 noname 0.0313 21 H3 -4.6003 -1.5444 2.4405 H 1 noname 0.0313 22 H4 -2.5963 -1.5514 1.0485 H 1 noname 0.0653 23 H5 -3.5493 2.5507 0.6285 H 1 noname 0.0630 24 H6 -1.2692 3.0228 0.0235 H 1 noname 0.0643 25 H7 2.0027 -0.6832 -0.1653 H 1 noname 0.1019 26 H8 2.5687 0.9619 -1.9593 H 1 noname 0.0642 27 H9 0.8256 3.3910 1.0047 H 1 noname 0.0642 28 H10 4.0517 2.7650 -2.5563 H 1 noname 0.0623 29 H11 2.2976 5.1942 0.3857 H 1 noname 0.0623 30 H12 3.9166 4.8901 -1.3942 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 19 1 7 4 20 1 8 4 21 1 9 5 7 1 10 5 22 1 11 6 8 2 12 6 23 1 13 7 9 1 14 7 10 2 15 8 10 1 16 8 24 1 17 9 11 2 18 10 12 1 19 11 12 1 20 11 25 1 21 12 13 1 22 13 14 2 23 13 15 1 24 14 16 1 25 14 26 1 26 15 17 2 27 15 27 1 28 16 18 2 29 16 28 1 30 17 18 1 31 17 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1