HMDB0303893 RDKit 3D butyl decanoate 44 43 0 0 0 0 0 0 0 0999 V2000 5.4660 2.0452 0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2843 0.7393 -0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8882 0.1926 -0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 -1.0923 -0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -1.7648 -0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 -2.1070 0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8182 -2.7757 0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3341 -1.9232 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4308 -0.6208 1.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 0.1352 0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 1.2627 1.0368 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3432 -0.3893 -0.4397 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4479 0.2017 -1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5341 0.4101 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7662 1.0524 -0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8251 1.2367 0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5036 2.3996 0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2214 1.8698 1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7489 2.7801 -0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3844 0.8513 -1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0039 -0.0234 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7838 0.0488 0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1263 0.9222 -0.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5389 -1.8090 -0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8933 -0.8884 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4312 -2.6734 -1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 -1.0393 -1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9322 -2.8110 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1642 -1.1813 1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6499 -3.1260 1.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8229 -3.6840 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2726 -1.6726 -0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3006 -2.4452 0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 -0.0120 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5949 -0.7799 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1946 1.1290 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8109 -0.5044 -1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1414 0.9793 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8563 -0.5817 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1118 0.4685 -1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4478 2.0657 -1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6964 0.5734 0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4063 0.9743 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1511 2.2849 0.4885 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 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 M END