HMDB0028964 RDKit 3D Lysylvaline 40 39 0 0 0 0 0 0 0 0999 V2000 -3.8855 1.1424 -0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6773 0.1822 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8585 -0.7037 0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4555 -0.6974 0.0009 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2456 0.0839 -0.1085 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2279 -0.0615 0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3775 -0.8582 1.8231 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 0.7521 0.7503 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8725 0.4135 1.8625 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6464 0.4301 -0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9081 1.1572 -0.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 0.9171 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4534 -0.5400 0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5414 -0.8041 0.9646 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6257 -1.5908 -1.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 -1.5885 -2.1067 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7005 -2.4335 -1.3119 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5137 1.9795 -0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4707 0.6839 -1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9355 1.5813 -1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4803 0.7894 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4871 -0.8505 -0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5127 -1.6796 0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4903 -0.2284 1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3776 -1.3286 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1013 0.7597 -0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7217 1.8344 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7054 1.1303 2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6559 -0.5543 2.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9069 0.6559 -1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8525 -0.6692 -0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2512 0.9109 -1.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6943 2.2649 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 1.2766 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9107 1.5277 -0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -1.1554 0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7334 -0.8168 -0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0854 0.0444 1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1245 -1.6105 0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4168 -2.3460 -2.0219 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 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 4 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 1 5 26 1 0 8 27 1 6 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 17 40 1 0 M END