@MOLECULE DB01686 32 31 1 SMALL USER_CHARGES @ATOM 1 O1 4.0622 -3.5015 0.8940 O.2 1 noname -0.2496 2 C1 3.7042 -2.8898 -0.1357 C.2 1 noname 0.1437 3 O2 3.6182 -3.5436 -1.3137 O.3 1 noname -0.2140 4 C2 3.3790 -1.4683 -0.0643 C.3 1 noname 0.0913 5 N1 4.2696 -0.7196 -0.9496 N.3 1 noname -0.3194 6 C3 1.9283 -1.2544 -0.5006 C.3 1 noname -0.0266 7 C4 1.5875 0.2353 -0.4258 C.3 1 noname -0.0314 8 C5 0.1367 0.4491 -0.8622 C.3 1 noname 0.0419 9 N2 -0.1695 1.7879 -0.7950 N.2 1 noname -0.2620 10 C6 -1.3351 2.1922 -1.1169 C.2 1 noname -0.1380 11 N3 -1.6269 3.4677 -1.0529 N.3 1 noname -0.1180 12 N4 -2.2409 1.3321 -1.5117 N.3 1 noname -0.1322 13 C7 -2.1327 3.7703 0.2280 C.3 1 noname -0.0064 14 C8 -2.5982 3.7771 -2.0270 C.3 1 noname -0.0064 15 H1 3.6298 -4.4904 -1.1557 H 1 noname 0.2213 16 H2 3.5515 -1.1315 0.9579 H 1 noname 0.0571 17 H3 5.1401 -1.1305 -1.2554 H 1 noname 0.1191 18 H4 4.0144 0.2086 -1.2554 H 1 noname 0.1191 19 H5 1.8707 -1.5380 -1.5515 H 1 noname 0.0288 20 H6 1.3010 -1.7580 0.2349 H 1 noname 0.0288 21 H7 1.6450 0.5188 0.6251 H 1 noname 0.0286 22 H8 2.2148 0.7389 -1.1613 H 1 noname 0.0286 23 H9 0.0507 0.1946 -1.9186 H 1 noname 0.0515 24 H10 -0.5190 -0.0254 -0.1322 H 1 noname 0.0515 25 H11 -3.1924 1.6348 -1.6640 H 1 noname 0.1267 26 H12 -1.9878 0.3662 -1.6640 H 1 noname 0.1267 27 H13 -2.3441 2.8446 0.7632 H 1 noname 0.0399 28 H14 -1.3948 4.3502 0.7824 H 1 noname 0.0399 29 H15 -3.0503 4.3502 0.1285 H 1 noname 0.0399 30 H16 -3.5249 4.0724 -1.5350 H 1 noname 0.0399 31 H17 -2.2401 4.5971 -2.6495 H 1 noname 0.0399 32 H18 -2.7804 2.9011 -2.6495 H 1 noname 0.0399 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 4 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 2 10 10 11 1 11 10 12 1 12 11 13 1 13 11 14 1 14 3 15 1 15 4 16 1 16 5 17 1 17 5 18 1 18 6 19 1 19 6 20 1 20 7 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 12 25 1 25 12 26 1 26 13 27 1 27 13 28 1 28 13 29 1 29 14 30 1 30 14 31 1 31 14 32 1 @SUBSTRUCTURE 1 noname 1