@MOLECULE DB07427 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 -0.8299 -1.1983 -0.4148 O.3 1 noname -0.2606 2 C1 -0.0477 -0.1761 -0.8102 C.2 1 noname 0.0232 3 C2 -1.7920 -0.7020 0.5271 C.3 1 noname 0.0956 4 C3 1.1604 0.1015 -0.0816 C.2 1 noname 0.0162 5 C4 -0.4327 0.5813 -1.9699 C.2 1 noname -0.0267 6 C5 -2.6090 -1.8062 0.9603 C.2 1 noname 0.0151 7 O2 1.5065 -0.6476 0.9869 O.3 1 noname -0.2685 8 C6 1.9877 1.1847 -0.5094 C.2 1 noname -0.0244 9 C7 0.3991 1.6630 -2.3922 C.2 1 noname -0.0610 10 N1 -3.9718 -1.7505 0.7393 N.2 1 noname -0.2422 11 C8 -1.9971 -2.9103 1.6085 C.2 1 noname -0.0143 12 C9 2.3029 -1.7427 0.5592 C.3 1 noname 0.0424 13 C10 1.5980 1.9498 -1.6586 C.2 1 noname -0.0676 14 C11 0.0339 2.4662 -3.5554 C.3 1 noname -0.0026 15 C12 -4.8216 -2.7645 1.1329 C.2 1 noname 0.0001 16 C13 -2.8534 -3.9739 2.0221 C.2 1 noname -0.0381 17 C14 -4.2626 -3.9057 1.7890 C.2 1 noname -0.0260 18 H1 -1.2354 -0.3541 1.3974 H 1 noname 0.0639 19 H2 -2.4423 -0.0149 -0.0142 H 1 noname 0.0639 20 H3 -1.3416 0.3390 -2.5207 H 1 noname 0.0653 21 H4 2.9025 1.4237 0.0329 H 1 noname 0.0651 22 H5 -0.9212 -2.9399 1.7805 H 1 noname 0.0642 23 H6 2.6887 -2.2732 1.4298 H 1 noname 0.0535 24 H7 1.6959 -2.4212 -0.0402 H 1 noname 0.0535 25 H8 3.1354 -1.3743 -0.0402 H 1 noname 0.0535 26 H9 2.2322 2.7744 -1.9842 H 1 noname 0.0626 27 H10 -0.2264 1.8080 -4.3843 H 1 noname 0.0279 28 H11 -0.8215 3.0952 -3.3086 H 1 noname 0.0279 29 H12 0.8768 3.0952 -3.8418 H 1 noname 0.0279 30 H13 -5.8890 -2.6682 0.9341 H 1 noname 0.0839 31 H14 -2.4277 -4.8452 2.5200 H 1 noname 0.0623 32 H15 -4.9094 -4.7219 2.1107 H 1 noname 0.0638 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 12 1 12 8 13 2 13 9 14 1 14 9 13 1 15 10 15 1 16 11 16 2 17 15 17 2 18 16 17 1 19 3 18 1 20 3 19 1 21 5 20 1 22 8 21 1 23 11 22 1 24 12 23 1 25 12 24 1 26 12 25 1 27 13 26 1 28 14 27 1 29 14 28 1 30 14 29 1 31 15 30 1 32 16 31 1 33 17 32 1 @SUBSTRUCTURE 1 noname 1