@MOLECULE DB07376 30 31 1 SMALL USER_CHARGES @ATOM 1 S1 1.9879 -1.5361 -1.3836 S 1 noname -0.0426 2 O1 1.6547 -3.0197 -0.9188 O.2 1 noname -0.1681 3 O2 3.5588 -1.3000 -1.3169 O.2 1 noname -0.1681 4 O3 1.4508 -1.3086 -2.9697 O.3 1 noname -0.1482 5 C1 1.1908 -0.4116 -0.3381 C.2 1 noname 0.0380 6 C2 -0.0920 0.0299 -0.6408 C.2 1 noname 0.0197 7 C3 1.8332 0.0504 0.8047 C.2 1 noname 0.0267 8 C4 -0.7324 0.9334 0.1992 C.2 1 noname -0.0267 9 C5 -0.7343 -0.4321 -1.7836 C.2 1 noname -0.0592 10 C6 1.1928 0.9540 1.6448 C.2 1 noname -0.0270 11 C7 -2.0151 1.3749 -0.1036 C.2 1 noname -0.0183 12 C8 -0.0900 1.3954 1.3420 C.2 1 noname -0.0086 13 C9 -2.0171 0.0094 -2.0864 C.2 1 noname -0.0572 14 N1 -2.6325 2.2459 0.7063 N.3 1 noname -0.1356 15 C10 -2.6575 0.9129 -1.2464 C.2 1 noname -0.0631 16 C11 -2.3371 3.5616 0.2941 C.3 1 noname -0.0087 17 C12 -4.0256 2.0365 0.6471 C.3 1 noname -0.0087 18 H1 1.3101 -2.1624 -3.3855 H 1 noname 0.2388 19 H2 2.8391 -0.2958 1.0422 H 1 noname 0.0640 20 H3 -0.2321 -1.1406 -2.4424 H 1 noname 0.0629 21 H4 1.6965 1.3163 2.5409 H 1 noname 0.0623 22 H5 -0.5922 2.1040 2.0007 H 1 noname 0.0629 23 H6 -2.5208 -0.3529 -2.9825 H 1 noname 0.0623 24 H7 -3.6634 1.2591 -1.4838 H 1 noname 0.0639 25 H8 -2.1951 4.1937 1.1707 H 1 noname 0.0398 26 H9 -1.4255 3.5591 -0.3035 H 1 noname 0.0398 27 H10 -3.1622 3.9491 -0.3035 H 1 noname 0.0398 28 H11 -4.4272 1.9762 1.6587 H 1 noname 0.0398 29 H12 -4.4956 2.8659 0.1185 H 1 noname 0.0398 30 H13 -4.2310 1.1057 0.1185 H 1 noname 0.0398 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 5 1 5 5 6 1 6 5 7 2 7 6 8 1 8 6 9 2 9 7 10 1 10 8 11 2 11 8 12 1 12 9 13 1 13 10 12 2 14 11 14 1 15 11 15 1 16 13 15 2 17 14 16 1 18 14 17 1 19 4 18 1 20 7 19 1 21 9 20 1 22 10 21 1 23 12 22 1 24 13 23 1 25 15 24 1 26 16 25 1 27 16 26 1 28 16 27 1 29 17 28 1 30 17 29 1 31 17 30 1 @SUBSTRUCTURE 1 noname 1