@MOLECULE DB07352 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 2.0563 -1.0817 -0.0004 O.2 1 noname -0.2920 2 C1 1.4165 -0.0082 0.0289 C.2 1 noname 0.0942 3 C2 0.0095 -0.0383 0.2107 C.2 1 noname 0.0261 4 C3 2.1086 1.2219 -0.1202 C.2 1 noname 0.0720 5 C4 -0.7099 1.2161 0.1896 C.2 1 noname 0.0565 6 C5 -0.6810 -1.2645 0.3641 C.2 1 noname 0.0531 7 C6 1.3680 2.4310 -0.1277 C.2 1 noname 0.0060 8 O2 -0.0084 2.3899 -0.0008 O.3 1 noname -0.1948 9 C7 -2.1151 1.2544 0.3306 C.2 1 noname 0.0012 10 O3 -0.0181 -2.4405 0.3649 O.3 1 noname -0.2752 11 C8 -2.0937 -1.2200 0.5173 C.2 1 noname -0.0015 12 C9 2.0216 3.6503 -0.2619 C.2 1 noname -0.0400 13 C10 -2.8013 0.0232 0.5040 C.2 1 noname 0.0315 14 C11 1.2916 4.8332 -0.2687 C.2 1 noname -0.0233 15 C12 3.4053 3.6869 -0.3891 C.2 1 noname -0.0233 16 O4 -4.1424 0.0261 0.6588 O.3 1 noname -0.2809 17 C13 1.9452 6.0525 -0.4029 C.2 1 noname -0.0233 18 C14 4.0590 4.9062 -0.5233 C.2 1 noname -0.0233 19 C15 3.3289 6.0891 -0.5302 C.2 1 noname 0.0071 20 O5 3.9638 7.2733 -0.6604 O.3 1 noname -0.2850 21 H1 3.1932 1.2378 -0.2273 H 1 noname 0.0691 22 H2 -2.6522 2.2025 0.3063 H 1 noname 0.0678 23 H3 0.1388 -2.7188 1.2702 H 1 noname 0.2182 24 H4 -2.6423 -2.1529 0.6469 H 1 noname 0.0677 25 H5 0.2066 4.8045 -0.1689 H 1 noname 0.0630 26 H6 3.9778 2.7593 -0.3837 H 1 noname 0.0630 27 H7 -4.3565 0.0265 1.5946 H 1 noname 0.2181 28 H8 1.3728 6.9801 -0.4083 H 1 noname 0.0650 29 H9 5.1440 4.9349 -0.6231 H 1 noname 0.0650 30 H10 4.1555 7.6311 0.2095 H 1 noname 0.2181 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 7 2 7 5 8 1 8 5 9 1 9 6 10 1 10 6 11 2 11 7 12 1 12 7 8 1 13 9 13 2 14 11 13 1 15 12 14 2 16 12 15 1 17 13 16 1 18 14 17 1 19 15 18 2 20 17 19 2 21 18 19 1 22 19 20 1 23 4 21 1 24 9 22 1 25 10 23 1 26 11 24 1 27 14 25 1 28 15 26 1 29 16 27 1 30 17 28 1 31 18 29 1 32 20 30 1 @SUBSTRUCTURE 1 noname 1