HMDB0035391 RDKit 3D Preisocalamendiol 40 40 0 0 0 0 0 0 0 0999 V2000 -1.0535 -2.0504 1.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3082 -1.9242 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 -1.5431 -0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6066 -0.0969 -0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2716 0.7855 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3515 1.7392 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1011 2.5586 1.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6031 1.9825 -1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6114 1.1431 -1.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 0.1215 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1829 0.3319 0.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3393 0.2393 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -0.7482 1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8938 -1.2285 -0.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -1.5731 -1.2977 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2274 -2.1714 -0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 -1.8662 2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0665 -2.3311 1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3551 -1.5374 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0131 -2.1505 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8684 -0.0782 -1.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 0.2105 -1.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 0.6253 1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0124 2.6948 1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3403 2.1029 2.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7323 3.5790 1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2767 3.0630 -1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3355 1.8794 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5258 0.6546 -2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5524 1.7620 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 0.1543 0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1619 1.3242 1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1093 0.4528 -1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9044 -0.7246 -0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0835 1.0268 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3157 -0.6203 2.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5487 -0.6584 2.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3479 -1.7409 1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1959 -3.2054 -0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -2.1822 -1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 10 14 1 0 14 15 2 0 14 16 1 0 16 2 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 7 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 13 38 1 0 16 39 1 0 16 40 1 0 M END