@MOLECULE 73425412 33 34 1 SMALL USER_CHARGES @ATOM 1 S1 -0.9709 3.2643 0.6561 S.2 1 noname 0.1535 2 O1 -0.2286 4.6585 0.8384 O.2 1 noname -0.3137 3 O2 3.6548 0.5597 -0.5935 O.2 1 noname -0.2929 4 O3 -1.3311 9.3642 -3.9965 O.3 1 noname -0.2189 5 O4 0.4757 8.0436 -4.2491 O.2 1 noname -0.2559 6 N1 1.7474 1.9893 -1.1001 N.3 1 noname -0.0690 7 N2 1.9893 1.2140 1.0636 N.3 1 noname -0.0692 8 C1 0.4190 1.5026 -0.7212 C.3 1 noname 0.0413 9 C2 -0.6291 2.6063 -1.0131 C.3 1 noname 0.0350 10 C3 0.5551 1.1073 0.7645 C.3 1 noname 0.0387 11 C4 -0.2102 2.0207 1.7576 C.3 1 noname 0.0239 12 C5 0.0082 3.7004 -1.8720 C.3 1 noname -0.0419 13 C6 -0.9502 4.8883 -1.9784 C.3 1 noname -0.0520 14 C7 2.6145 1.1666 -0.2590 C.2 1 noname -0.0377 15 C8 -0.3130 5.9824 -2.8373 C.3 1 noname -0.0439 16 C9 -1.2714 7.1703 -2.9437 C.3 1 noname 0.0335 17 C10 -0.6633 8.2143 -3.7633 C.2 1 noname 0.1348 18 H1 0.3301 0.6245 -1.3608 H 1 noname 0.0493 19 H2 -1.5194 2.1255 -1.4183 H 1 noname 0.0399 20 H3 0.2155 0.0906 0.9618 H 1 noname 0.0491 21 H4 -0.9932 1.4450 2.2512 H 1 noname 0.0363 22 H5 0.4452 2.3924 2.5452 H 1 noname 0.0363 23 H6 0.2122 3.3078 -2.8681 H 1 noname 0.0274 24 H7 0.9410 4.0264 -1.4119 H 1 noname 0.0274 25 H8 1.9883 2.6766 -1.7408 H 1 noname 0.1327 26 H9 2.4188 1.2962 1.9295 H 1 noname 0.1327 27 H10 -1.8831 4.5624 -2.4385 H 1 noname 0.0267 28 H11 -1.1542 5.2810 -0.9823 H 1 noname 0.0267 29 H12 -0.1090 5.5897 -3.8334 H 1 noname 0.0272 30 H13 0.6199 6.3083 -2.3772 H 1 noname 0.0272 31 H14 -2.2042 6.8444 -3.4038 H 1 noname 0.0372 32 H15 -1.4754 7.5630 -1.9476 H 1 noname 0.0372 33 H16 -0.8363 10.1984 -4.1370 H 1 noname 0.2213 @BOND 1 1 2 2 2 1 9 1 3 1 11 1 4 3 14 2 5 4 17 1 6 4 33 1 7 5 17 2 8 6 8 1 9 6 14 1 10 6 25 1 11 7 10 1 12 7 14 1 13 7 26 1 14 8 9 1 15 8 10 1 16 8 18 1 17 9 12 1 18 9 19 1 19 10 11 1 20 10 20 1 21 11 21 1 22 11 22 1 23 12 13 1 24 12 23 1 25 12 24 1 26 13 15 1 27 13 27 1 28 13 28 1 29 15 16 1 30 15 29 1 31 15 30 1 32 16 17 1 33 16 31 1 34 16 32 1 @SUBSTRUCTURE 1 noname 1