HMDB0028734 RDKit 3D Asparaginylisoleucine 36 35 0 0 0 0 0 0 0 0999 V2000 -2.5462 1.8345 -1.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6258 1.1360 -0.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0941 -0.2855 -0.6181 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4976 -0.1908 -0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 -0.9958 0.4207 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1244 -1.0816 0.0781 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1834 -0.4694 0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8673 0.2023 1.8321 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -0.5968 0.3961 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6649 -1.4750 -0.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 0.7106 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1637 1.6649 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 1.7618 2.0136 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1672 2.3944 1.3009 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8038 -2.3651 0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 -3.3419 0.4126 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1306 -2.6075 0.9145 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 2.5658 -2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 2.4383 -1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0387 1.1508 -2.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 1.1941 -1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 1.6803 0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1065 -0.8636 -1.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 -0.3088 1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1521 -1.0129 -0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0032 0.7447 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3595 -0.3933 1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -1.6337 -0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2058 -1.0208 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6363 -1.8568 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4841 -0.8772 -1.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2405 0.5970 -0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6249 1.1152 -0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2074 2.0763 1.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1216 1.5143 3.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4412 -3.4050 1.4326 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 5 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 2 22 1 0 3 23 1 6 4 24 1 0 4 25 1 0 4 26 1 0 5 27 1 1 6 28 1 0 9 29 1 1 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 13 34 1 0 13 35 1 0 17 36 1 0 M END