@MOLECULE DB01651 34 35 1 SMALL USER_CHARGES @ATOM 1 O1 2.0100 -1.0396 -0.7895 O.2 1 noname -0.2336 2 C1 2.5670 -0.0310 -0.3048 C.2 1 noname 0.1661 3 O2 3.1344 0.8838 -1.1195 O.3 1 noname -0.2015 4 C2 2.6058 0.1674 1.2157 C.3 1 noname 0.2543 5 O3 1.3074 0.2469 1.8244 O.3 1 noname -0.3328 6 O4 3.5080 -0.7785 1.8246 O.3 1 noname -0.3390 7 C3 3.2767 1.5432 1.4068 C.3 1 noname 0.0000 8 C4 0.5817 -0.9877 2.0013 C.3 1 noname 0.1186 9 C5 2.9509 -1.9847 2.4121 C.3 1 noname 0.0797 10 C6 -0.3810 -0.6649 3.1914 C.3 1 noname 0.1138 11 C7 1.4460 -2.2808 2.2297 C.3 1 noname 0.1132 12 O5 -0.7721 0.6986 3.1274 O.3 1 noname -0.3873 13 C8 0.2866 -0.9497 4.5711 C.3 1 noname 0.1333 14 O6 0.9926 -3.0965 3.3434 O.3 1 noname -0.3413 15 O7 -0.6435 -0.6844 5.6108 O.3 1 noname -0.3849 16 C9 0.7053 -2.4430 4.6204 C.3 1 noname 0.1860 17 O8 1.8175 -2.5943 5.4902 O.3 1 noname -0.3530 18 C10 2.2007 -3.9608 5.5353 C.3 1 noname 0.0389 19 H1 3.5568 1.5648 -0.5910 H 1 noname 0.2215 20 H2 3.3789 1.7528 2.4715 H 1 noname 0.0291 21 H3 4.2626 1.5344 0.9419 H 1 noname 0.0291 22 H4 2.6627 2.3145 0.9419 H 1 noname 0.0291 23 H5 0.0988 -1.1911 1.0456 H 1 noname 0.0661 24 H6 3.4796 -2.7847 1.8937 H 1 noname 0.0596 25 H7 3.1006 -1.8362 3.4815 H 1 noname 0.0596 26 H8 -1.3080 -1.2305 3.0975 H 1 noname 0.0658 27 H9 1.2928 -2.9137 1.3556 H 1 noname 0.0657 28 H10 -0.8716 1.0452 4.0171 H 1 noname 0.2106 29 H11 1.1225 -0.2812 4.7773 H 1 noname 0.0682 30 H12 -0.9658 -1.5138 5.9711 H 1 noname 0.2108 31 H13 -0.1284 -3.0282 5.0083 H 1 noname 0.0951 32 H14 2.2899 -4.2791 6.5740 H 1 noname 0.0530 33 H15 1.4462 -4.5665 5.0333 H 1 noname 0.0530 34 H16 3.1601 -4.0859 5.0333 H 1 noname 0.0530 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 8 5 1 8 6 9 1 9 8 10 1 10 8 11 1 11 9 11 1 12 10 12 1 13 10 13 1 14 11 14 1 15 13 15 1 16 13 16 1 17 14 16 1 18 16 17 1 19 17 18 1 20 3 19 1 21 7 20 1 22 7 21 1 23 7 22 1 24 8 23 1 25 9 24 1 26 9 25 1 27 10 26 1 28 11 27 1 29 12 28 1 30 13 29 1 31 15 30 1 32 16 31 1 33 18 32 1 34 18 33 1 35 18 34 1 @SUBSTRUCTURE 1 noname 1