HMDB0060933 RDKit 3D Propofol glucuronide 51 52 0 0 0 0 0 0 0 0999 V2000 -1.2330 3.1728 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2534 2.5236 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2493 3.4863 0.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9207 1.2034 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1566 1.2565 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8672 0.0743 -0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3348 -1.0940 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0808 -1.1369 0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5772 -2.4406 0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6747 -3.0735 -0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7638 -3.4842 0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3403 0.0279 0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1553 -0.0599 1.0603 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1472 -0.0215 0.7093 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5177 -0.4005 -0.6213 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 0.5252 -0.9394 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0810 0.4840 -2.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9398 1.3121 -2.6545 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 -0.4771 -3.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6533 0.4557 0.1198 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6670 1.5845 0.9385 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4453 -0.8291 0.8719 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2658 -1.8309 -0.0942 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1276 -0.6605 1.6283 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3121 0.1368 2.7448 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0299 2.7186 -1.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2243 2.9255 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 4.2513 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 2.5634 0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 4.3069 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9189 3.9142 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7509 2.9003 1.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6201 2.1746 -0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 0.1097 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9606 -1.9879 -0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1781 -2.4452 1.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5859 -2.3385 -1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0213 -4.0208 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 -3.2919 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9573 -3.5849 -0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 -4.5043 0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5813 -3.2007 1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4443 1.0994 0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 1.5066 -0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -1.0013 -3.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 0.4392 -0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0529 1.3291 1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2487 -1.0959 1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1118 -2.2751 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8209 -1.6720 1.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 0.4455 3.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 9 11 1 0 8 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 12 4 1 0 24 14 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 11 42 1 0 14 43 1 6 16 44 1 6 19 45 1 0 20 46 1 6 21 47 1 0 22 48 1 1 23 49 1 0 24 50 1 1 25 51 1 0 M END