HMDB0032496 RDKit 3D Propyl propane thiosulfonate 32 32 0 0 0 0 0 0 0 0999 V2000 3.5068 -2.7831 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7699 -1.7263 0.3043 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -1.4116 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0895 -2.0871 -1.1475 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -0.2808 0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5679 0.9543 0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5396 1.0050 -0.5882 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2805 2.0995 0.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9494 3.3266 0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6062 -0.1533 -0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 0.9907 0.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7694 1.1441 0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5564 -0.0989 -0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7070 -1.2250 -0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0449 -1.9019 -1.5046 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4255 -1.4058 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9382 -3.4660 0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3438 -2.3699 -0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8938 -3.4096 -0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7619 -0.4883 1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8062 3.2964 0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2111 4.0868 0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2733 3.6862 1.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 -0.0371 -1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8209 1.9289 0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 0.9054 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2588 1.6933 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8209 1.7972 -0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 -0.4494 0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3267 0.0907 -0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9675 -2.3324 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6906 -1.3788 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 5 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 10 1 0 1 17 1 0 1 18 1 0 1 19 1 0 5 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 16 31 1 0 16 32 1 0 M END