@MOLECULE DB07129 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 -0.5274 -0.9334 0.3504 O.3 1 noname -0.2749 2 C1 0.0927 -0.2568 -0.6396 C.2 1 noname -0.0172 3 C2 -1.9335 -0.8542 0.1694 C.3 1 noname 0.0683 4 C3 0.3825 1.0936 -0.4829 C.2 1 noname -0.0320 5 C4 0.4412 -0.9104 -1.8158 C.2 1 noname -0.0320 6 C5 -2.6362 -1.6211 1.2914 C.3 1 noname 0.0254 7 C6 1.0209 1.7903 -1.5023 C.2 1 noname -0.0690 8 C7 0.0165 1.7802 0.7525 C.3 1 noname 0.0091 9 C8 1.0796 -0.2137 -2.8352 C.2 1 noname -0.0690 10 C9 0.1367 -2.3288 -1.9805 C.3 1 noname 0.0091 11 N1 -4.0840 -1.5395 1.1051 N.3 1 noname -0.3259 12 C10 -2.1996 -3.0871 1.2584 C.3 1 noname -0.0477 13 C11 1.3694 1.1367 -2.6784 C.2 1 noname -0.0771 14 H1 -2.1813 0.2020 0.2756 H 1 noname 0.0588 15 H2 -2.1353 -1.3695 -0.7696 H 1 noname 0.0588 16 H3 -2.4134 -1.1749 2.2607 H 1 noname 0.0483 17 H4 1.2482 2.8492 -1.3793 H 1 noname 0.0626 18 H5 -0.2119 1.0441 1.5233 H 1 noname 0.0280 19 H6 0.8473 2.4045 1.0811 H 1 noname 0.0280 20 H7 -0.8593 2.4045 0.5754 H 1 noname 0.0280 21 H8 1.3529 -0.7263 -3.7575 H 1 noname 0.0626 22 H9 0.0366 -2.7951 -1.0004 H 1 noname 0.0280 23 H10 -0.7971 -2.4383 -2.5320 H 1 noname 0.0280 24 H11 0.9433 -2.8119 -2.5320 H 1 noname 0.0280 25 H12 -4.5349 -0.6380 1.0407 H 1 noname 0.1187 26 H13 -4.6333 -2.3846 1.0407 H 1 noname 0.1187 27 H14 -2.0895 -3.4565 2.2779 H 1 noname 0.0247 28 H15 -2.9520 -3.6786 0.7368 H 1 noname 0.0247 29 H16 -1.2461 -3.1705 0.7368 H 1 noname 0.0247 30 H17 1.8700 1.6830 -3.4778 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 4 7 1 7 4 8 1 8 5 9 2 9 5 10 1 10 6 11 1 11 6 12 1 12 7 13 2 13 9 13 1 14 3 14 1 15 3 15 1 16 6 16 1 17 7 17 1 18 8 18 1 19 8 19 1 20 8 20 1 21 9 21 1 22 10 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 12 29 1 30 13 30 1 @SUBSTRUCTURE 1 noname 1