HMDB0036823 RDKit 3D Theaspirane 36 37 0 0 0 0 0 0 0 0999 V2000 0.0221 2.5300 1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7581 1.3334 0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0848 1.3516 0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9561 0.2418 0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1621 -0.4675 -0.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 -0.9394 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2952 -1.8281 0.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1779 -1.8796 -1.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 0.1655 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9611 -0.3709 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2513 -0.4930 0.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 0.7388 -0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1164 0.7470 -1.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 0.6297 -0.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7664 2.2542 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6581 3.2641 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 3.0317 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5238 2.2912 0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3219 -0.4085 0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8538 0.7342 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0027 0.1863 -1.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 -1.3848 -1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3546 -2.1923 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 -2.7617 0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3148 -1.2714 1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 -2.7266 -0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5301 -1.3467 -1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9921 -2.3670 -1.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0495 0.2598 2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6954 -1.3988 1.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 -1.3940 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1438 -0.4571 1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3343 1.6094 0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 1.6087 -2.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -0.1844 -2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1194 0.8945 -1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 9 2 1 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 7 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 M END