@MOLECULE DB03740 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 0.1907 -0.1249 -0.2777 O.3 1 noname -0.3419 2 C1 1.5056 -0.3445 -0.8832 C.3 1 noname 0.1802 3 C2 -0.4018 1.2138 -0.2468 C.3 1 noname 0.1123 4 O2 2.1727 -1.3942 -0.1982 O.3 1 noname -0.3660 5 C3 2.4408 0.8972 -0.9669 C.3 1 noname 0.1316 6 C4 0.1292 2.2273 -1.3029 C.3 1 noname 0.1107 7 C5 -1.9228 1.1012 -0.3677 C.3 1 noname 0.0722 8 N1 3.0108 1.1255 0.2634 N.2 1 noname -0.2250 9 C6 1.6835 2.1789 -1.4353 C.3 1 noname 0.1099 10 O3 -0.2746 3.5404 -0.9436 O.3 1 noname -0.3874 11 O4 -2.4283 0.3347 0.7156 O.3 1 noname -0.3934 12 C7 4.2788 1.0981 0.3934 C.2 1 noname 0.0189 13 O5 2.0545 2.4863 -2.7711 O.3 1 noname -0.3878 14 O6 5.0445 0.8507 -0.6530 O.3 1 noname -0.2660 15 C8 4.8716 1.3355 1.6729 C.3 1 noname -0.0002 16 H1 1.2657 -0.6876 -1.8896 H 1 noname 0.0944 17 H2 -0.0795 1.5685 0.7322 H 1 noname 0.0657 18 H3 2.0889 -1.2623 0.7490 H 1 noname 0.2133 19 H4 3.2959 0.6927 -1.6111 H 1 noname 0.0634 20 H5 -0.3376 2.0380 -2.2695 H 1 noname 0.0656 21 H6 -2.3462 2.0976 -0.2413 H 1 noname 0.0591 22 H7 -2.1485 0.5227 -1.2635 H 1 noname 0.0591 23 H8 2.0530 2.9821 -0.7978 H 1 noname 0.0653 24 H9 -0.2982 3.6174 0.0131 H 1 noname 0.2106 25 H10 -2.3356 -0.6000 0.5169 H 1 noname 0.2101 26 H11 2.1905 1.6720 -3.2609 H 1 noname 0.2106 27 H12 5.1299 -0.0984 -0.7697 H 1 noname 0.2195 28 H13 5.0940 0.3824 2.1528 H 1 noname 0.0317 29 H14 5.7939 1.9025 1.5465 H 1 noname 0.0317 30 H15 4.1788 1.9025 2.2948 H 1 noname 0.0317 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 1 7 5 8 1 8 5 9 1 9 6 10 1 10 6 9 1 11 7 11 1 12 8 12 2 13 9 13 1 14 12 14 1 15 12 15 1 16 2 16 1 17 3 17 1 18 4 18 1 19 5 19 1 20 6 20 1 21 7 21 1 22 7 22 1 23 9 23 1 24 10 24 1 25 11 25 1 26 13 26 1 27 14 27 1 28 15 28 1 29 15 29 1 30 15 30 1 @SUBSTRUCTURE 1 noname 1