HMDB0304276 RDKit 3D bisorganyltrisulfane 67 66 0 0 0 0 0 0 0 0999 V2000 -8.1479 -4.2052 2.6723 N 0 0 0 0 0 1 0 0 0 0 0 0 -7.5116 -3.3852 3.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2557 -2.8194 3.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4269 -1.9710 1.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0486 -1.5249 1.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0282 -1.8386 2.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9683 -0.7072 0.3397 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6996 -0.1834 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8556 1.3235 -0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 2.2476 -0.7209 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7356 2.0538 0.4739 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5054 0.4695 -0.0946 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7434 0.8289 -1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9032 1.7047 -0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6551 1.1511 0.1993 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7801 0.3454 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1347 0.0976 -1.2064 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5904 -0.2407 1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7381 -1.0187 0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 -1.6201 1.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0677 -0.5061 2.4382 N 0 0 0 0 0 1 0 0 0 0 0 0 8.7122 -2.3947 1.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4999 -3.5279 0.5883 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0165 -1.9144 1.0793 O 0 0 0 0 0 1 0 0 0 0 0 0 2.4867 3.1068 -0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7648 3.1300 0.5632 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3937 4.1646 -0.6543 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0993 4.4992 -1.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1507 3.5552 -2.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 3.0697 -1.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4461 3.1522 -3.4645 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.5964 -0.6854 -1.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5075 -1.4075 -2.0755 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4941 -0.3912 -2.4327 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3917 -0.8790 -3.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 -0.4285 -4.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4071 0.3082 -4.2091 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5372 -0.8170 -5.9734 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.3735 -2.3165 4.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3129 -1.1028 3.9462 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3761 -2.7003 5.1093 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.1768 -4.0796 4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5199 -3.6297 2.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7868 -2.2093 3.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9673 -1.0408 2.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9167 -2.5224 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8066 -0.4054 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8868 -0.5448 0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0972 1.5751 0.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7281 1.5676 -0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1548 -0.1407 -1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2437 1.3326 -2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5804 1.6965 -1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 1.3489 1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9596 0.5596 1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 -0.9512 1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3959 -0.3608 -0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3948 -1.8280 -0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9062 -2.2347 2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 3.3785 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 3.2512 1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0451 5.0031 -0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5975 5.5080 -1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3908 4.6948 -2.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7342 0.2042 -2.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 -0.6508 -4.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4432 -2.0071 -3.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 2 0 22 24 1 0 14 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 8 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 2 39 1 0 39 40 2 0 39 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 4 45 1 0 4 46 1 0 7 47 1 0 8 48 1 0 9 49 1 0 9 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 15 54 1 0 18 55 1 0 18 56 1 0 19 57 1 0 19 58 1 0 20 59 1 0 25 60 1 0 26 61 1 0 27 62 1 0 28 63 1 0 28 64 1 0 34 65 1 0 35 66 1 0 35 67 1 0 M CHG 6 1 1 21 1 24 -1 31 -1 38 -1 41 -1 M RAD 2 1 2 21 2 M END