@MOLECULE DB01250 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 -2.2735 0.2133 2.2369 O.2 1 noname -0.2568 2 C1 -1.4527 -0.3993 1.5203 C.2 1 noname 0.0963 3 O2 -1.3284 -1.7390 1.6305 O.3 1 noname -0.2171 4 C2 -0.6680 0.2990 0.6099 C.2 1 noname 0.0383 5 C3 0.2447 -0.3821 -0.1870 C.2 1 noname 0.0589 6 C4 -0.7961 1.6784 0.4964 C.2 1 noname 0.0545 7 O3 0.3690 -1.7219 -0.0768 O.3 1 noname -0.2754 8 C5 1.0294 0.3161 -1.0974 C.2 1 noname 0.0021 9 C6 -0.0114 2.3767 -0.4139 C.2 1 noname 0.0140 10 C7 0.9013 1.6956 -1.2108 C.2 1 noname 0.0260 11 N1 -0.1316 3.6718 -0.5205 N.2 1 noname -0.1757 12 N2 -0.4614 4.3356 0.4486 N.2 1 noname -0.1757 13 C8 -0.5816 5.6306 0.3421 C.2 1 noname 0.0140 14 C9 -0.9574 6.3869 1.4461 C.2 1 noname 0.0545 15 C10 -0.3339 6.2538 -0.8755 C.2 1 noname 0.0260 16 C11 -1.0854 7.7663 1.3327 C.2 1 noname 0.0383 17 C12 -0.4619 7.6333 -0.9889 C.2 1 noname 0.0021 18 C13 -0.8377 8.3895 0.1151 C.2 1 noname 0.0589 19 C14 -1.4612 8.5226 2.4367 C.2 1 noname 0.0963 20 O4 -0.9620 9.7292 0.0049 O.3 1 noname -0.2754 21 O5 -2.1972 8.0233 3.3151 O.2 1 noname -0.2568 22 O6 -1.0313 9.7963 2.5604 O.3 1 noname -0.2171 23 H1 -1.3057 -1.9830 2.5587 H 1 noname 0.2216 24 H2 -1.5118 2.2126 1.1214 H 1 noname 0.0655 25 H3 0.3917 -1.9659 0.8514 H 1 noname 0.2182 26 H4 1.7451 -0.2180 -1.7223 H 1 noname 0.0651 27 H5 1.5167 2.2431 -1.9247 H 1 noname 0.0646 28 H6 -1.1517 5.8982 2.4009 H 1 noname 0.0655 29 H7 -0.0392 5.6608 -1.7412 H 1 noname 0.0646 30 H8 -0.2676 8.1219 -1.9437 H 1 noname 0.0651 31 H9 -0.9983 10.1204 0.8809 H 1 noname 0.2182 32 H10 -0.9559 10.0197 3.4910 H 1 noname 0.2216 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 5 8 1 8 6 9 2 9 8 10 2 10 9 11 1 11 9 10 1 12 11 12 2 13 12 13 1 14 13 14 2 15 13 15 1 16 14 16 1 17 15 17 2 18 16 18 2 19 16 19 1 20 17 18 1 21 18 20 1 22 19 21 2 23 19 22 1 24 3 23 1 25 6 24 1 26 7 25 1 27 8 26 1 28 10 27 1 29 14 28 1 30 15 29 1 31 17 30 1 32 20 31 1 33 22 32 1 @SUBSTRUCTURE 1 noname 1