@MOLECULE DB02260 31 30 1 SMALL USER_CHARGES @ATOM 1 O1 6.6460 -0.5290 -0.7527 O.2 1 noname -0.2558 2 C1 5.7001 -0.8496 -0.0010 C.2 1 noname 0.1350 3 O2 5.9455 -1.2095 1.2768 O.3 1 noname -0.2188 4 C2 4.3299 -0.8348 -0.5050 C.3 1 noname 0.0403 5 C3 3.3725 -1.2653 0.6081 C.3 1 noname 0.0154 6 C4 2.0023 -1.2505 0.1041 C.2 1 noname 0.1329 7 O3 1.5188 -2.2761 -0.4220 O.2 1 noname -0.2993 8 C5 1.1968 -0.0378 0.2148 C.3 1 noname 0.0061 9 C6 -0.1883 -0.2891 -0.3846 C.3 1 noname -0.0464 10 C7 -1.0324 0.9817 -0.2687 C.3 1 noname -0.0524 11 C8 -2.4175 0.7304 -0.8681 C.3 1 noname -0.0439 12 C9 -3.2615 2.0012 -0.7521 C.3 1 noname 0.0335 13 C10 -4.5833 1.7615 -1.3241 C.2 1 noname 0.1348 14 O4 -5.4360 2.6754 -1.3320 O.2 1 noname -0.2559 15 O5 -4.8844 0.5527 -1.8444 O.3 1 noname -0.2189 16 H1 5.9582 -2.1672 1.3427 H 1 noname 0.2213 17 H2 4.1098 0.2055 -0.7445 H 1 noname 0.0377 18 H3 4.2895 -1.5942 -1.2859 H 1 noname 0.0377 19 H4 3.5926 -2.3056 0.8476 H 1 noname 0.0351 20 H5 3.4128 -0.5060 1.3890 H 1 noname 0.0351 21 H6 1.0664 0.1390 1.2824 H 1 noname 0.0346 22 H7 1.6930 0.7092 -0.4048 H 1 noname 0.0346 23 H8 -0.0418 -0.4736 -1.4489 H 1 noname 0.0271 24 H9 -0.6685 -1.0437 0.2383 H 1 noname 0.0271 25 H10 -1.1788 1.1662 0.7956 H 1 noname 0.0267 26 H11 -0.5521 1.7363 -0.8916 H 1 noname 0.0267 27 H12 -2.2710 0.5459 -1.9323 H 1 noname 0.0272 28 H13 -2.8977 -0.0242 -0.2452 H 1 noname 0.0272 29 H14 -3.4241 2.1928 0.3085 H 1 noname 0.0372 30 H15 -2.7975 2.7630 -1.3787 H 1 noname 0.0372 31 H16 -5.0401 -0.0723 -1.1326 H 1 noname 0.2213 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 2 14 13 15 1 15 3 16 1 16 4 17 1 17 4 18 1 18 5 19 1 19 5 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 15 31 1 @SUBSTRUCTURE 1 noname 1