@MOLECULE DB02647 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 2.9904 -0.2179 0.2184 O.2 1 noname -0.2767 2 C1 3.6394 0.6086 -0.4586 C.2 1 noname 0.0880 3 N1 3.0307 1.6955 -0.9522 N.3 1 noname -0.1289 4 C2 4.9924 0.4001 -0.6994 C.2 1 noname -0.0104 5 C3 1.7264 1.8965 -0.7201 C.2 1 noname -0.0344 6 C4 5.6238 -0.7274 -0.1874 C.2 1 noname -0.0124 7 C5 5.7140 1.3191 -1.4522 C.2 1 noname -0.0124 8 N2 1.0286 1.5000 0.3515 N.3 1 noname -0.0169 9 C6 0.8249 2.5577 -1.5413 C.2 1 noname 0.0222 10 C7 6.9768 -0.9359 -0.4282 C.2 1 noname -0.0455 11 C8 7.0670 1.1106 -1.6930 C.2 1 noname -0.0455 12 N3 -0.2126 1.8579 0.2592 N.2 1 noname -0.3219 13 C9 -0.4039 2.5167 -0.8898 C.2 1 noname 0.0247 14 C10 7.6984 -0.0169 -1.1810 C.2 1 noname -0.0386 15 C11 -1.6613 3.0840 -1.3681 C.3 1 noname 0.0556 16 C12 -2.1649 4.1251 -0.3664 C.3 1 noname -0.0442 17 C13 -1.4719 4.5751 -1.6542 C.3 1 noname -0.0442 18 H1 3.5551 2.3633 -1.4993 H 1 noname 0.1387 19 H2 5.0579 -1.4481 0.4030 H 1 noname 0.0630 20 H3 5.2189 2.2032 -1.8538 H 1 noname 0.0630 21 H4 1.3971 0.9885 1.1407 H 1 noname 0.1766 22 H5 1.0393 3.0175 -2.5060 H 1 noname 0.0673 23 H6 7.4719 -1.8201 -0.0266 H 1 noname 0.0622 24 H7 7.6329 1.8312 -2.2834 H 1 noname 0.0622 25 H8 8.7594 -0.1804 -1.3698 H 1 noname 0.0622 26 H9 -2.0750 2.2222 -1.8918 H 1 noname 0.0369 27 H10 -3.2451 4.2680 -0.3370 H 1 noname 0.0273 28 H11 -1.5768 4.2255 0.5458 H 1 noname 0.0273 29 H12 -0.4564 4.9530 -1.5365 H 1 noname 0.0273 30 H13 -2.1246 4.9955 -2.4193 H 1 noname 0.0273 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 8 1 8 5 9 2 9 6 10 1 10 7 11 2 11 8 12 1 12 9 13 1 13 10 14 2 14 11 14 1 15 12 13 2 16 13 15 1 17 15 16 1 18 15 17 1 19 16 17 1 20 3 18 1 21 6 19 1 22 7 20 1 23 8 21 1 24 9 22 1 25 10 23 1 26 11 24 1 27 14 25 1 28 15 26 1 29 16 27 1 30 16 28 1 31 17 29 1 32 17 30 1 @SUBSTRUCTURE 1 noname 1