HMDB0248630 RDKit 3D Arzoxifene 63 67 0 0 0 0 0 0 0 0999 V2000 -5.8767 5.2845 0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2459 4.3091 -0.1582 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7443 3.0208 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1649 2.1429 -1.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6675 0.8676 -1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7601 0.4078 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2946 -0.9732 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8974 -2.1331 -1.2641 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9688 -3.4897 -0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 -4.8000 -1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0585 -5.6912 -0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9562 -7.0151 -1.0415 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2973 -5.2104 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 -3.9135 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2213 -2.9838 0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3915 -1.6865 0.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6686 -1.0360 1.6113 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 -0.5215 1.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 0.1052 2.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5489 0.6371 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 0.5607 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4163 1.1109 0.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1275 1.0857 -0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4639 1.7476 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3126 1.1188 0.5776 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5863 1.7614 0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5207 1.4425 -0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5700 -0.0225 -0.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1818 -0.6118 -0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4576 -0.3044 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -0.0695 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8081 -0.6038 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3800 1.3269 0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8539 2.6404 0.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8544 5.6525 0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6329 6.0952 0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9252 4.8290 1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8647 2.4294 -1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9987 0.1700 -1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -5.1007 -2.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5311 -7.7561 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6158 -5.9445 0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 -3.6744 1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1402 0.1979 3.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0505 1.1156 2.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2043 0.0258 -0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5412 1.5937 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9149 1.8135 -1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2955 2.7936 -0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4154 2.8776 0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0975 1.5852 1.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5614 1.7145 -0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3523 2.0430 -1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1080 -0.1368 -1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 -0.5778 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6704 -0.2144 -1.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2558 -1.6965 -1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5209 -0.8545 0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1435 -0.6656 1.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9403 -0.1282 -1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3414 -1.0933 -0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6954 1.0556 1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5325 3.3468 1.6161 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 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 0 28 29 1 0 29 30 1 0 21 31 1 0 31 32 2 0 6 33 1 0 33 34 2 0 34 3 1 0 16 7 2 0 32 18 1 0 15 9 1 0 30 25 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 5 39 1 0 10 40 1 0 12 41 1 0 13 42 1 0 14 43 1 0 19 44 1 0 20 45 1 0 23 46 1 0 23 47 1 0 24 48 1 0 24 49 1 0 26 50 1 0 26 51 1 0 27 52 1 0 27 53 1 0 28 54 1 0 28 55 1 0 29 56 1 0 29 57 1 0 30 58 1 0 30 59 1 0 31 60 1 0 32 61 1 0 33 62 1 0 34 63 1 0 M END