HMDB0039429 RDKit 3D Canavalmine 43 42 0 0 0 0 0 0 0 0999 V2000 6.6989 -0.0901 -1.1915 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8041 -0.5427 -0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3286 0.5847 0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5771 1.6328 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3241 1.1811 -0.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4111 0.6171 0.2278 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 0.2537 -0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2515 -0.3932 0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -0.7121 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9755 -1.3476 1.0712 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2867 -1.6266 0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0966 -0.3696 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4876 -0.6665 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1693 0.6846 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5107 0.5301 -0.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5796 0.3474 -0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1777 0.5179 -1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0054 -1.1361 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3907 -1.2649 0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7513 0.2085 1.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2277 1.0972 1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 2.4442 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2651 2.1288 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8411 2.0874 -1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 0.5086 -1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8003 -0.1349 0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 -0.4418 -1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 1.2183 -0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1712 0.2971 1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 -1.3558 1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4931 0.2409 -0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9793 -1.3854 -0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5295 -2.0881 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8296 -2.2414 1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2785 -2.2333 -0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 0.2254 1.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5446 0.2192 -0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5349 -1.2795 -1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0559 -1.1926 0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1113 1.2419 0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5671 1.2320 -1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5721 -0.3662 -1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7858 1.3694 -1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 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 1 0 13 14 1 0 14 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 M END