@MOLECULE DB02752 33 34 1 SMALL USER_CHARGES @ATOM 1 S1 -0.8886 -1.5957 -0.0235 S 1 noname -0.1142 2 O1 -0.0212 -2.7533 0.6668 O.2 1 noname -0.1970 3 O2 -2.3059 -1.4620 0.7200 O.2 1 noname -0.1970 4 N1 -1.1059 -2.0557 -1.7077 N.3 1 noname 0.0165 5 C1 -0.0062 -0.0702 0.0355 C.2 1 noname 0.0086 6 C2 -1.8484 -3.3078 -1.7580 C.3 1 noname 0.1134 7 C3 -1.9675 -1.1518 -2.4778 C.3 1 noname 0.0175 8 C4 -0.7523 1.1544 0.0837 C.2 1 noname 0.0107 9 C5 1.4270 -0.0922 0.0352 C.2 1 noname 0.0107 10 C6 -0.9823 -4.4045 -1.3350 C.2 1 noname 0.1446 11 C7 -2.1308 -3.4303 -3.2513 C.3 1 noname -0.0253 12 C8 -2.3519 -1.9833 -3.7072 C.3 1 noname -0.0369 13 C9 -0.0503 2.3949 0.1454 C.2 1 noname -0.0419 14 C10 2.1415 1.1440 0.0998 C.2 1 noname -0.0419 15 O3 -1.2913 -5.0972 -0.3414 O.2 1 noname -0.2490 16 O4 0.1521 -4.6703 -2.0168 O.3 1 noname -0.2135 17 C11 1.3842 2.3604 0.1554 C.2 1 noname -0.0274 18 C12 2.1085 3.6261 0.2256 C.3 1 noname 0.0025 19 H1 -2.7122 -3.3293 -1.0937 H 1 noname 0.0590 20 H2 -2.8637 -0.9721 -1.8839 H 1 noname 0.0445 21 H3 -1.3515 -0.3132 -2.8023 H 1 noname 0.0445 22 H4 -1.8422 1.1425 0.0735 H 1 noname 0.0639 23 H5 1.9671 -1.0377 -0.0137 H 1 noname 0.0639 24 H6 -1.2260 -3.8010 -3.7330 H 1 noname 0.0289 25 H7 -3.0711 -3.9686 -3.3702 H 1 noname 0.0289 26 H8 -3.4183 -1.8460 -3.8863 H 1 noname 0.0281 27 H9 -1.6340 -1.7661 -4.4981 H 1 noname 0.0281 28 H10 -0.5929 3.3395 0.1838 H 1 noname 0.0625 29 H11 3.2314 1.1587 0.1064 H 1 noname 0.0625 30 H12 0.8661 -4.8376 -1.3973 H 1 noname 0.2213 31 H13 2.2642 3.8982 1.2695 H 1 noname 0.0279 32 H14 3.0734 3.5206 -0.2702 H 1 noname 0.0279 33 H15 1.5285 4.4045 -0.2702 H 1 noname 0.0279 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 5 1 5 4 6 1 6 4 7 1 7 5 8 2 8 5 9 1 9 6 10 1 10 6 11 1 11 7 12 1 12 8 13 1 13 9 14 2 14 10 15 2 15 10 16 1 16 11 12 1 17 13 17 2 18 14 17 1 19 17 18 1 20 6 19 1 21 7 20 1 22 7 21 1 23 8 22 1 24 9 23 1 25 11 24 1 26 11 25 1 27 12 26 1 28 12 27 1 29 13 28 1 30 14 29 1 31 16 30 1 32 18 31 1 33 18 32 1 34 18 33 1 @SUBSTRUCTURE 1 noname 1