HMDB0034219 RDKit 3D D-Pinitol 27 27 0 0 0 0 0 0 0 0999 V2000 3.2934 0.3913 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 0.0750 -0.7636 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0073 0.0795 0.0311 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3833 -1.2932 -0.0063 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2857 -1.7564 1.2992 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9721 -1.2013 -0.6483 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6046 -2.4108 -0.7862 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8312 -0.3047 0.2337 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0778 -0.0692 -0.3164 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1852 1.0112 0.5242 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0541 2.0925 0.3255 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0268 1.1629 -0.3661 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6686 2.3860 -0.1147 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1722 1.4126 0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1517 0.4028 -0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 -0.3593 0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3451 0.3453 1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0274 -2.0279 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0885 -2.6491 1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -0.7791 -1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 -3.1033 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0081 -0.8929 1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9628 0.2580 -1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8337 1.0699 1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7502 2.1278 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2408 1.1520 -1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 2.8804 -0.9692 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 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 1 4 18 1 6 5 19 1 0 6 20 1 6 7 21 1 0 8 22 1 1 9 23 1 0 10 24 1 1 11 25 1 0 12 26 1 6 13 27 1 0 M END