HMDB0062727 RDKit 3D 1-iodo-2-methylundecane 38 37 0 0 0 0 0 0 0 0999 V2000 4.8555 -0.9713 0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1961 0.3781 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9895 0.3219 -0.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9318 -0.6186 -0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -0.2317 0.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 1.1366 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 1.2927 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4772 0.3945 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5456 0.6542 -0.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -0.1829 -0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5148 -1.6554 -0.6453 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4384 0.1844 0.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1956 -0.9796 1.0899 I 0 0 0 0 0 0 0 0 0 0 0 0 5.9492 -0.8392 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6283 -1.6230 -0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -1.4380 1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9095 1.1026 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9147 0.8372 0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5586 1.3306 -1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3131 0.0290 -2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0593 -0.5516 -1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 -1.6730 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7307 -1.0148 1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3109 -0.1841 1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4675 1.4392 1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6035 1.9026 0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6732 2.3568 0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0136 1.1796 -1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0989 -0.6438 0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 0.5882 1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8364 1.7141 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1881 0.4672 -1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5492 0.0539 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0364 -1.8498 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9068 -2.0210 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5122 -2.1661 -0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7564 1.2456 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7742 0.0352 1.6234 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 10 12 1 0 12 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 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 11 36 1 0 12 37 1 0 12 38 1 0 M END