@MOLECULE 91827244 32 33 1 SMALL USER_CHARGES @ATOM 1 As1 -0.8732 -1.2383 0.1823 As 1 noname 0.0742 2 S1 -2.4876 0.1648 0.9058 S.3 1 noname -0.1188 3 S2 -0.4475 -2.1212 2.2035 S.3 1 noname -0.1222 4 O1 -2.7531 2.6644 2.7456 O.3 1 noname -0.3951 5 O2 3.9600 1.5914 -2.1069 O.3 1 noname -0.2788 6 O3 3.5245 3.3670 2.3043 O.2 1 noname -0.2771 7 N1 3.2469 1.8826 0.5908 N.3 1 noname -0.1316 8 C1 -1.4888 0.6173 2.3963 C.3 1 noname 0.0374 9 C2 -0.6494 -0.5294 3.1136 C.3 1 noname 0.0079 10 C3 -2.2616 1.4916 3.3920 C.3 1 noname 0.0558 11 C4 0.6806 -0.5270 -0.6353 C.2 1 noname -0.0472 12 C5 1.5169 0.2123 0.2170 C.2 1 noname -0.0117 13 C6 1.0008 -0.6261 -1.9917 C.2 1 noname -0.0368 14 C7 2.5900 0.9956 -0.2477 C.2 1 noname 0.0086 15 C8 2.9139 0.8891 -1.6181 C.2 1 noname 0.0253 16 C9 2.1274 0.0685 -2.4751 C.2 1 noname -0.0210 17 C10 2.7454 2.6666 1.6149 C.2 1 noname 0.1284 18 C11 1.3464 2.8724 1.9785 C.3 1 noname 0.0098 19 H1 -0.7684 1.2787 1.9733 H 1 noname 0.0448 20 H2 -1.1265 -0.7944 4.0591 H 1 noname 0.0391 21 H3 0.3510 -0.1415 3.3654 H 1 noname 0.0391 22 H4 -3.0864 0.8820 3.7740 H 1 noname 0.0575 23 H5 -1.6084 1.7905 4.2218 H 1 noname 0.0575 24 H6 1.3529 0.1637 1.2112 H 1 noname 0.0643 25 H7 0.4245 -1.2128 -2.5947 H 1 noname 0.0626 26 H8 2.3935 -0.0570 -3.4481 H 1 noname 0.0650 27 H9 4.1802 2.0387 0.3615 H 1 noname 0.1371 28 H10 -3.2848 3.1090 3.4297 H 1 noname 0.2100 29 H11 4.0387 1.3105 -3.0409 H 1 noname 0.2182 30 H12 0.7357 2.5815 1.1260 H 1 noname 0.0324 31 H13 1.0975 2.2452 2.8346 H 1 noname 0.0324 32 H14 1.1890 3.9036 2.2946 H 1 noname 0.0324 @BOND 1 1 2 1 2 1 3 1 3 1 11 1 4 2 8 1 5 3 9 1 6 4 10 1 7 4 28 1 8 5 15 1 9 5 29 1 10 6 17 2 11 7 14 1 12 7 17 1 13 7 27 1 14 8 9 1 15 8 10 1 16 8 19 1 17 9 20 1 18 9 21 1 19 10 22 1 20 10 23 1 21 11 12 2 22 11 13 1 23 12 14 1 24 12 24 1 25 13 16 2 26 13 25 1 27 14 15 2 28 15 16 1 29 16 26 1 30 17 18 1 31 18 30 1 32 18 31 1 33 18 32 1 @SUBSTRUCTURE 1 noname 1