HMDB0030686 RDKit 3D Cyclointegrin 47 50 0 0 0 0 0 0 0 0999 V2000 6.1113 1.4111 0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9683 0.0178 0.4046 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6728 -0.5277 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4911 -1.8977 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2439 -2.4788 0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0909 -3.8624 0.1281 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1501 -1.6376 0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8705 -2.1513 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -3.4121 0.0587 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1807 -1.2593 0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0404 0.0985 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 0.5539 0.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2991 -0.2498 0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5673 0.2853 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 1.2895 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 2.3545 0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4788 3.6470 0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8501 3.8446 0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3291 5.1625 0.4224 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6863 2.7718 0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1959 1.4909 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2474 0.6324 -0.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5177 -0.7279 -0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6456 -0.7491 -1.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0921 -1.3420 0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3762 -1.4754 -0.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4262 -2.0648 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5676 1.9175 -0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1745 1.6712 0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7325 1.7828 1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3611 -2.5562 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9196 -4.4408 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7068 1.3479 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0839 2.2239 0.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1524 4.5100 0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4029 5.7158 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 2.9662 0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4357 0.0789 -2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5692 -0.4655 -0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7250 -1.7318 -1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 -1.2154 1.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0733 -0.8214 1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3424 -2.4061 0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7773 -2.2672 -1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 -0.7825 -1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 -3.0732 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8194 -2.1780 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 11 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 26 27 1 0 14 3 1 0 21 15 1 0 13 7 1 0 27 10 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 6 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 19 36 1 0 20 37 1 0 24 38 1 0 24 39 1 0 24 40 1 0 25 41 1 0 25 42 1 0 25 43 1 0 26 44 1 0 26 45 1 0 27 46 1 0 27 47 1 0 M END