HMDB0249243 RDKit 3D Bis(2-ethylhexyl) phthalate 66 66 0 0 0 0 0 0 0 0999 V2000 -7.5511 -1.2901 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3885 -0.5227 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6772 -1.3183 -1.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3188 -1.7830 -0.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1992 -0.8646 -0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1972 0.0850 0.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2846 -0.6493 1.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8561 -0.0788 -1.8254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7949 0.7962 -1.5915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4882 0.4337 -1.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3096 -0.7894 -1.1377 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5012 1.4768 -1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 2.8080 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0729 3.8474 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2434 3.6439 -0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6739 2.3520 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7984 1.2622 -0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3171 -0.0806 -0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7373 -1.1666 -0.6091 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 -0.1977 -0.1336 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2225 -1.4885 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7288 -1.3197 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2746 -0.5857 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0329 -1.4682 -2.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7425 -0.4384 1.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9822 -0.0856 2.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0718 0.6292 1.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6538 1.9643 1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5726 -1.7269 1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7629 -2.0572 1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4551 -0.5717 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0140 0.4699 0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4668 -0.3414 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7995 -0.8435 -2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3258 -2.2522 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3573 -2.5641 0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -2.4315 -1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2838 -1.5285 -0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 0.9797 0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1256 0.5111 0.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4069 -1.7480 1.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1159 -0.3075 2.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3647 -0.5516 2.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6174 -0.8268 -2.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 0.5370 -2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9798 2.9546 -1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4437 4.8740 -1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8757 4.4942 -0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6796 2.1365 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1515 -2.0706 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -2.0637 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 -2.3301 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6609 0.3253 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3156 -0.2927 -0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 -1.2021 -2.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0721 -2.5472 -1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8303 -1.1909 -2.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0807 -0.9566 2.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 0.4795 1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6907 0.5808 3.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3909 -0.9968 2.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7370 0.0655 0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7937 0.9360 2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3689 2.1819 0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7723 2.7769 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6257 1.9272 0.5947 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 5 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 17 12 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 7 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 13 46 1 0 14 47 1 0 15 48 1 0 16 49 1 0 21 50 1 0 21 51 1 0 22 52 1 0 23 53 1 0 23 54 1 0 24 55 1 0 24 56 1 0 24 57 1 0 25 58 1 0 25 59 1 0 26 60 1 0 26 61 1 0 27 62 1 0 27 63 1 0 28 64 1 0 28 65 1 0 28 66 1 0 M END