@MOLECULE 71422851 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 -1.8816 -1.2730 -0.1663 O.2 1 noname -0.2921 2 O2 3.4234 1.4912 0.3675 O.3 1 noname -0.2665 3 O3 1.9256 3.8315 0.3084 O.3 1 noname -0.2738 4 N1 1.3874 -2.8257 0.0670 N.3 1 noname -0.3104 5 C1 -0.0577 -2.5942 -0.0495 C.3 1 noname 0.0678 6 C2 -0.6370 -1.2269 -0.0587 C.2 1 noname 0.0992 7 C3 0.0235 0.0561 0.0353 C.2 1 noname -0.0220 8 C4 -0.7965 -3.4541 0.9780 C.3 1 noname -0.0423 9 C5 1.4344 0.2076 0.1601 C.2 1 noname 0.0204 10 C6 -0.7440 1.2670 0.0054 C.2 1 noname -0.0190 11 C7 2.0741 1.4519 0.2512 C.2 1 noname 0.0368 12 C8 -0.1170 2.5340 0.0961 C.2 1 noname -0.0105 13 C9 1.2864 2.6233 0.2184 C.2 1 noname 0.0431 14 C10 1.6537 -4.2631 0.0475 C.3 1 noname -0.0157 15 C11 4.0086 1.5441 -0.9253 C.3 1 noname 0.0424 16 H1 -0.3882 -3.0452 -0.9851 H 1 noname 0.0547 17 H2 -1.8693 -3.2822 0.8915 H 1 noname 0.0251 18 H3 -0.5811 -4.5065 0.7931 H 1 noname 0.0251 19 H4 -0.4653 -3.1862 1.9813 H 1 noname 0.0251 20 H5 1.8681 -2.3795 -0.7167 H 1 noname 0.1226 21 H6 2.0664 -0.5836 0.1908 H 1 noname 0.0658 22 H7 -1.7850 1.2510 -0.0839 H 1 noname 0.0631 23 H8 -0.6931 3.3934 0.0722 H 1 noname 0.0651 24 H9 2.7266 -4.4351 0.1340 H 1 noname 0.0391 25 H10 1.1409 -4.7390 0.8834 H 1 noname 0.0391 26 H11 1.2922 -4.6870 -0.8894 H 1 noname 0.0391 27 H12 1.2647 4.5542 0.2733 H 1 noname 0.2183 28 H13 5.0941 1.5756 -0.8317 H 1 noname 0.0535 29 H14 3.6625 2.4378 -1.4445 H 1 noname 0.0535 30 H15 3.7183 0.6593 -1.4919 H 1 noname 0.0535 @BOND 1 1 6 2 2 2 11 1 3 2 15 1 4 3 13 1 5 3 27 1 6 4 5 1 7 4 14 1 8 4 20 1 9 5 6 1 10 5 8 1 11 5 16 1 12 6 7 1 13 7 9 2 14 7 10 1 15 8 17 1 16 8 18 1 17 8 19 1 18 9 11 1 19 9 21 1 20 10 12 2 21 10 22 1 22 11 13 2 23 12 13 1 24 12 23 1 25 14 24 1 26 14 25 1 27 14 26 1 28 15 28 1 29 15 29 1 30 15 30 1 @SUBSTRUCTURE 1 noname 1