HMDB0253524 RDKit 3D IODODIFLUNISAL 26 27 0 0 0 0 0 0 0 0999 V2000 4.4820 -1.1517 -0.6026 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2611 -1.3255 -0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8316 -2.6501 -0.3829 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3071 -0.2214 -0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 -0.5095 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.4552 -0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4315 0.0787 -0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 -0.8749 0.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1537 -1.2426 0.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1252 -0.6669 0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 -1.0462 0.3358 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7657 0.2832 -0.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4404 0.6417 -0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1027 1.5794 -1.8027 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3718 1.7714 -0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7028 2.0850 -0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 4.1143 -0.6474 I 0 0 0 0 0 0 0 0 0 0 0 0 2.6988 1.0901 -0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9989 1.5061 -0.6834 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3524 -3.2649 0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6977 -1.5800 -0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -1.3374 1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4432 -2.0001 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5307 0.7357 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4069 2.5242 -0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8246 1.0059 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 6 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 18 4 1 0 13 7 1 0 3 20 1 0 5 21 1 0 8 22 1 0 9 23 1 0 12 24 1 0 15 25 1 0 19 26 1 0 M END