@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3918 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 -4.0264 1.0492 1.7492 O.3 1 noname -0.2731 2 C1 -2.7185 1.1413 1.3702 C.2 1 noname 0.0195 3 C2 -4.5895 -0.1536 2.2813 C.3 1 noname 0.0505 4 C3 -1.7876 0.0863 1.5123 C.2 1 noname 0.0238 5 C4 -2.2975 2.3693 0.8153 C.2 1 noname -0.0110 6 C5 -6.0715 0.0853 2.5863 C.3 1 noname -0.0410 7 C6 -0.4656 0.2894 1.0873 C.2 1 noname 0.0183 8 C7 -0.9676 2.5584 0.3903 C.2 1 noname -0.0191 9 N1 0.5742 -0.5485 1.1424 N.2 1 noname -0.2397 10 C8 -0.0557 1.4944 0.5224 C.2 1 noname -0.0539 11 C9 1.6101 0.1315 0.6174 C.2 1 noname -0.0346 12 N2 1.2551 1.3765 0.2205 N.3 1 noname -0.0190 13 C10 2.0901 2.2915 -0.3684 C.2 1 noname -0.0236 14 C11 3.4200 2.4485 0.0855 C.2 1 noname -0.0547 15 C12 1.6601 3.0826 -1.4584 C.2 1 noname -0.0547 16 C13 4.2870 3.3756 -0.5183 C.2 1 noname -0.0619 17 C14 2.5240 4.0096 -2.0653 C.2 1 noname -0.0619 18 C15 3.8379 4.1586 -1.5942 C.2 1 noname -0.0850 19 H1 -4.5035 -0.9635 1.5553 H 1 noname 0.0568 20 H2 -4.0785 -0.4325 3.2043 H 1 noname 0.0568 21 H3 -2.0616 -0.8075 1.9203 H 1 noname 0.0673 22 H4 -2.9666 3.1343 0.7214 H 1 noname 0.0650 23 H5 -6.5115 -0.8255 2.9914 H 1 noname 0.0254 24 H6 -6.1695 0.8894 3.3154 H 1 noname 0.0254 25 H7 -6.5925 0.3614 1.6694 H 1 noname 0.0254 26 H8 -0.6777 3.4554 0.0024 H 1 noname 0.0644 27 H9 2.5471 -0.2614 0.5204 H 1 noname 0.1019 28 H10 3.7620 1.8906 0.8686 H 1 noname 0.0642 29 H11 0.7150 2.9746 -1.8273 H 1 noname 0.0642 30 H12 5.2419 3.4806 -0.1752 H 1 noname 0.0623 31 H13 2.1980 4.5706 -2.8523 H 1 noname 0.0623 32 H14 4.4659 4.8307 -2.0341 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 1 6 3 19 1 7 3 20 1 8 4 7 1 9 4 21 1 10 5 8 2 11 5 22 1 12 6 23 1 13 6 24 1 14 6 25 1 15 7 9 1 16 7 10 2 17 8 10 1 18 8 26 1 19 9 11 2 20 10 12 1 21 11 12 1 22 11 27 1 23 12 13 1 24 13 14 2 25 13 15 1 26 14 16 1 27 14 28 1 28 15 17 2 29 15 29 1 30 16 18 2 31 16 30 1 32 17 18 1 33 17 31 1 34 18 32 1 @SUBSTRUCTURE 1 noname 1