HMDB0014961 RDKit 3D Ethynodiol Diacetate 60 63 0 0 0 0 0 0 0 0999 V2000 -4.4898 -2.8220 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1812 -1.6579 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8305 -0.2094 -0.0826 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6888 0.2295 0.8998 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8953 1.4517 1.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8729 1.7385 2.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2396 2.4088 1.0197 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 0.4494 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6934 1.1946 -1.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7677 0.1687 -1.1467 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3598 0.4946 -0.9048 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3433 1.1741 -2.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6485 1.6920 -1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4087 0.5437 -0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7337 0.6363 -0.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6076 -0.4459 -0.3771 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9630 -0.1545 0.9831 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2701 0.1091 1.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6065 0.4048 2.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 0.0874 0.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0388 -1.8132 -0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6206 -1.8522 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 -0.6951 -0.4276 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3546 -0.8462 -0.6737 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3123 -1.6455 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7981 -1.6282 0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3718 -0.2248 0.2110 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8992 0.6077 1.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7721 -3.8300 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7145 2.3674 2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2277 0.8428 3.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3422 2.3690 3.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0853 -0.2796 -2.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8810 1.1072 -1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6679 2.1805 -1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 1.2944 -2.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8669 -0.7310 -1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1466 1.0776 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2548 2.0263 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5952 0.4493 -2.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2191 2.2853 -2.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3754 2.3441 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2057 1.5530 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5538 -0.4050 -0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 1.1142 2.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9030 -0.5525 3.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7878 0.9042 3.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0949 -2.3373 0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6415 -2.4646 -1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -1.7730 -2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1852 -2.8299 -0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9788 -0.7349 0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 -1.3942 -1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1637 -1.4563 1.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 -2.7241 0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1276 -2.2704 -0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1537 -2.0898 1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6932 1.6576 1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9908 0.1334 1.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6633 0.5473 2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 3 2 1 6 3 4 1 0 4 5 1 0 5 6 1 0 5 7 2 0 3 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 2 0 16 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 1 27 3 1 0 27 10 1 0 24 11 1 0 23 14 1 0 1 29 1 0 6 30 1 0 6 31 1 0 6 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 6 11 38 1 1 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 15 43 1 0 16 44 1 6 19 45 1 0 19 46 1 0 19 47 1 0 21 48 1 0 21 49 1 0 22 50 1 0 22 51 1 0 23 52 1 1 24 53 1 6 25 54 1 0 25 55 1 0 26 56 1 0 26 57 1 0 28 58 1 0 28 59 1 0 28 60 1 0 M END