HMDB0251172 RDKit 3D Dibutyl adipate 44 43 0 0 0 0 0 0 0 0999 V2000 -5.3792 -0.1257 0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0181 -0.2378 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5060 0.5721 -1.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1824 0.3277 -2.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1099 0.3186 -1.6691 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6786 -0.7373 -0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2799 -1.8386 -0.9801 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4956 -0.5989 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9897 0.7990 -0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1851 1.1042 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3495 0.2027 0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 0.5567 1.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4631 2.1768 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6936 -0.1338 1.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7447 0.2325 2.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9438 -0.6302 1.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4038 -0.4583 0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -0.8344 -0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6264 0.7042 0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0062 -1.0780 0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1833 0.1785 1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1315 -0.1203 -0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9488 -1.3369 -1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6402 1.6984 -1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2951 0.5238 -2.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9243 1.1551 -3.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -0.6377 -3.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7545 -1.3806 -0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8489 -0.7375 1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7194 0.9751 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8354 1.4822 0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0335 1.1208 1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 2.1475 0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6354 0.4450 -0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0972 -0.8659 0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4391 0.1286 3.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 1.3009 1.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7426 -0.3335 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7079 -1.6882 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6999 0.6048 0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2717 -1.1503 0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7753 -1.1689 -1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 0.0410 -0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6736 -1.6612 -0.2644 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 18 44 1 0 M END