HMDB0252740 RDKit 3D Glaziovine 41 44 0 0 0 0 0 0 0 0999 V2000 4.9684 0.5419 0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7845 1.3090 0.2006 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5783 0.6365 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -0.7605 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2885 -1.3722 0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1788 -0.5900 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1821 0.7746 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4105 1.3944 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4641 2.7916 -0.0278 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2472 1.2314 -0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2752 2.3703 -1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8194 3.5175 -0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4249 3.6805 0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9519 4.7911 0.8785 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4145 2.5662 1.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 1.4344 1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9102 -0.0115 -0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 -1.0923 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1457 -2.3466 -0.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -2.8994 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -3.2787 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0915 -2.8365 0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8829 -0.2282 1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8293 1.2247 0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0843 0.0068 -0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 -1.3359 0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3787 3.2355 0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8371 2.2754 -2.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 4.3713 -1.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8804 2.7155 2.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 0.6083 1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9904 0.0095 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6518 -0.0858 -1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5704 -1.2140 0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1543 -2.3853 -1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9065 -2.7268 0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4773 -4.0039 -0.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -3.6753 0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 -4.1804 -0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8765 -3.2983 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3412 -3.1647 1.2131 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 2 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 10 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 8 3 1 0 16 10 1 0 22 5 1 0 18 6 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 9 27 1 0 11 28 1 0 12 29 1 0 15 30 1 0 16 31 1 0 17 32 1 0 17 33 1 0 18 34 1 0 20 35 1 0 20 36 1 0 20 37 1 0 21 38 1 0 21 39 1 0 22 40 1 0 22 41 1 0 M END