@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3858 28 30 1 SMALL USER_CHARGES @ATOM 1 N1 0.0000 -1.0468 0.4360 N.2 1 noname -0.2304 2 C1 -1.0409 -0.2178 0.5721 C.2 1 noname 0.0043 3 C2 1.0288 -0.2678 0.0571 C.2 1 noname -0.0329 4 C3 -0.6370 1.0811 0.2712 C.2 1 noname -0.0497 5 C4 -2.3629 -0.5108 0.9411 C.2 1 noname -0.0121 6 N2 0.6748 1.0351 -0.0437 N.3 1 noname -0.0217 7 C5 -1.5690 2.1370 0.3082 C.2 1 noname -0.0343 8 C6 -3.2929 0.5451 0.9951 C.2 1 noname -0.0474 9 C7 1.5137 2.0630 -0.3927 C.2 1 noname -0.0236 10 C8 -2.9049 1.8671 0.6772 C.2 1 noname -0.0439 11 C9 2.4746 1.8921 -1.4156 C.2 1 noname -0.0549 12 C10 1.4627 3.3100 0.2722 C.2 1 noname -0.0549 13 C11 -3.8759 2.9721 0.7232 C.3 1 noname -0.0003 14 C12 3.3455 2.9351 -1.7735 C.2 1 noname -0.0619 15 C13 2.3306 4.3560 -0.0836 C.2 1 noname -0.0619 16 C14 3.2715 4.1690 -1.1085 C.2 1 noname -0.0852 17 H1 1.9687 -0.6268 -0.1177 H 1 noname 0.1019 18 H2 -2.6429 -1.4667 1.1621 H 1 noname 0.0646 19 H3 -1.2880 3.0860 0.0643 H 1 noname 0.0646 20 H4 -4.2579 0.3472 1.2621 H 1 noname 0.0626 21 H5 2.5376 1.0032 -1.9145 H 1 noname 0.0642 22 H6 0.8007 3.4580 1.0332 H 1 noname 0.0642 23 H7 -4.8639 2.6171 1.0202 H 1 noname 0.0279 24 H8 -3.5430 3.7211 1.4422 H 1 noname 0.0279 25 H9 -3.9519 3.4331 -0.2626 H 1 noname 0.0279 26 H10 4.0294 2.7971 -2.5174 H 1 noname 0.0623 27 H11 2.2806 5.2499 0.4063 H 1 noname 0.0623 28 H12 3.9034 4.9280 -1.3674 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 2 3 2 4 2 4 2 5 1 5 3 6 1 6 3 17 1 7 4 7 1 8 4 6 1 9 5 8 2 10 5 18 1 11 6 9 1 12 7 10 2 13 7 19 1 14 8 10 1 15 8 20 1 16 9 11 2 17 9 12 1 18 10 13 1 19 11 14 1 20 11 21 1 21 12 15 2 22 12 22 1 23 13 23 1 24 13 24 1 25 13 25 1 26 14 16 2 27 14 26 1 28 15 16 1 29 15 27 1 30 16 28 1 @SUBSTRUCTURE 1 noname 1