HMDB0015500 RDKit 3D Allylestrenol 54 57 0 0 0 0 0 0 0 0999 V2000 4.2127 2.2854 3.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2191 1.9970 2.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 1.3069 1.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7586 0.0075 1.3076 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2328 -0.7586 2.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -0.8145 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1537 -1.6322 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1229 -0.5836 -0.2296 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2944 -0.9918 -0.3768 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5472 -1.9731 -1.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0316 -2.2998 -1.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -1.0429 -1.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8977 -1.0858 -2.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8005 0.0466 -2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2592 1.3752 -2.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7661 1.3360 -1.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4291 0.2370 -0.9915 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0181 0.3271 -0.5389 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8548 1.1179 0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5022 1.1861 1.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -0.0555 1.1862 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7780 -1.0631 2.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2535 2.0132 3.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9850 2.7896 4.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 2.3147 2.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5641 1.0840 1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2779 1.9652 0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 -0.5951 2.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2304 -1.3723 0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5221 -0.0494 -0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -1.9913 -1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 -2.4944 0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3659 0.2212 -0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6702 -1.4382 0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2082 -1.6503 -2.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0229 -2.9086 -1.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2199 -2.6358 -0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3403 -3.1010 -2.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1786 -2.0460 -2.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8496 -0.1241 -2.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9030 0.0888 -3.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4752 2.2084 -2.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7833 1.6299 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3152 1.0112 -2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4023 2.3212 -1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0705 0.4570 -0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 0.8798 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6473 0.8307 1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1499 2.1796 0.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 2.0799 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3183 1.3253 2.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4572 -1.0112 3.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2372 -0.8084 2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7719 -2.0955 1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 1 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 1 21 4 1 0 21 8 1 0 18 9 1 0 17 12 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 6 9 34 1 1 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 16 44 1 0 16 45 1 0 17 46 1 1 18 47 1 6 19 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 22 52 1 0 22 53 1 0 22 54 1 0 M END