HMDB0035232 RDKit 3D Rotundine B 40 41 0 0 0 0 0 0 0 0999 V2000 -3.3738 1.9564 1.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2496 0.7782 1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3646 0.0671 0.7591 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3058 -1.0063 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0856 -1.3947 -0.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9581 -0.6860 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 0.4186 0.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6562 0.9822 0.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1649 -0.2649 0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6067 -0.0840 0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2143 0.8680 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7422 0.9271 -0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3647 -0.4230 -0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0006 1.4338 1.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5317 -0.8743 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2134 -2.3410 -0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -0.2039 -1.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5272 2.8647 1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2307 1.8161 2.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4219 2.0575 2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2134 -1.5370 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0548 -2.2749 -1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4123 1.7621 0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4801 1.3476 1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0738 -0.9295 1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0952 -1.0874 0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8949 0.2879 1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8668 1.8937 -0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 0.4495 -1.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0854 1.6834 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 -1.1894 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1298 -0.3137 -1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8922 -0.7129 0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 1.9579 1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0514 -2.8550 -1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6473 -2.3729 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -2.8262 0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3485 -0.3403 -2.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3549 -0.7276 -2.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2318 0.8931 -1.8727 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 9 15 1 0 15 16 1 0 15 17 1 0 7 2 1 0 15 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 5 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 16 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 M END