@MOLECULE DB04577 30 31 1 SMALL USER_CHARGES @ATOM 1 N1 -0.9631 -2.7176 -1.2358 N.3 1 noname -0.3295 2 C1 0.2880 -2.4086 -0.5454 C.3 1 noname 0.0021 3 C2 0.0396 -1.3148 0.4952 C.3 1 noname 0.0276 4 C3 -0.4683 -0.0822 -0.1593 C.2 1 noname -0.0535 5 C4 1.4405 -1.1049 1.0604 C.3 1 noname -0.0423 6 C5 -0.7461 -1.9088 1.6800 C.3 1 noname -0.0423 7 C6 -0.1649 0.0527 -1.5580 C.2 1 noname -0.0599 8 C7 -1.1720 0.9469 0.5553 C.2 1 noname -0.0599 9 C8 1.6318 -2.3935 1.8459 C.3 1 noname -0.0524 10 C9 0.2656 -2.7744 2.4274 C.3 1 noname -0.0524 11 C10 -0.5703 1.2324 -2.2584 C.2 1 noname -0.0618 12 C11 -1.5960 2.1237 -0.1310 C.2 1 noname -0.0618 13 C12 -1.2837 2.2330 -1.5206 C.2 1 noname -0.0663 14 H1 -1.6050 -1.9752 -1.4743 H 1 noname 0.1184 15 H2 -1.1856 -3.6735 -1.4743 H 1 noname 0.1184 16 H3 0.5667 -3.3156 -0.0089 H 1 noname 0.0434 17 H4 0.9549 -1.9966 -1.3027 H 1 noname 0.0434 18 H5 2.1508 -1.0948 0.2337 H 1 noname 0.0276 19 H6 1.4105 -0.2724 1.7633 H 1 noname 0.0276 20 H7 -1.0285 -1.0882 2.3394 H 1 noname 0.0276 21 H8 -1.5114 -2.5712 1.2756 H 1 noname 0.0276 22 H9 0.3706 -0.7366 -2.0855 H 1 noname 0.0625 23 H10 -1.3843 0.8348 1.6185 H 1 noname 0.0625 24 H11 1.9090 -3.1679 1.1305 H 1 noname 0.0267 25 H12 2.2904 -2.1646 2.6837 H 1 noname 0.0267 26 H13 0.2530 -2.4673 3.4732 H 1 noname 0.0267 27 H14 0.0701 -3.8134 2.1621 H 1 noname 0.0267 28 H15 -0.3437 1.3641 -3.3165 H 1 noname 0.0622 29 H16 -2.1400 2.9125 0.3886 H 1 noname 0.0622 30 H17 -1.6081 3.1303 -2.0476 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 8 1 8 5 9 1 9 6 10 1 10 7 11 1 11 8 12 2 12 9 10 1 13 11 13 2 14 12 13 1 15 1 14 1 16 1 15 1 17 2 16 1 18 2 17 1 19 5 18 1 20 5 19 1 21 6 20 1 22 6 21 1 23 7 22 1 24 8 23 1 25 9 24 1 26 9 25 1 27 10 26 1 28 10 27 1 29 11 28 1 30 12 29 1 31 13 30 1 @SUBSTRUCTURE 1 noname 1