HMDB0259275 RDKit 3D Tris(2-butoxyethyl) phosphate 65 64 0 0 0 0 0 0 0 0999 V2000 8.0610 -3.1060 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7574 -2.4469 -0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5988 -3.3858 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3387 -2.4649 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 -1.5298 0.2654 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4552 -1.5704 1.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2923 -0.9335 0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -0.8550 1.3726 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1131 0.0897 0.3602 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8636 -0.3558 -1.1767 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3381 -0.4358 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 -1.2040 0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2542 -2.4353 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 -3.3863 0.3937 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3476 -2.7123 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5639 -3.4106 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4674 -4.8351 -0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8965 -5.3646 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6453 1.6102 0.4007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2661 2.6057 0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 3.1735 -0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1361 4.1913 -0.9671 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 5.2125 -0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2779 6.4913 -0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6586 7.6300 0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1955 8.9268 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8050 -4.0593 0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6293 -2.3961 0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5891 -3.3595 -1.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8115 -2.0559 -1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 -1.5474 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5901 -4.3145 -1.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4636 -3.5749 0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4236 -3.0574 -0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4703 -1.9918 -1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2662 -2.6501 1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6111 -0.9985 2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4686 0.0373 0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8621 -1.5585 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 -0.8545 1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6199 -1.6019 1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -2.9099 -0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -2.1281 -1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1664 -2.8604 -1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -1.6370 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4930 -2.8978 -0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7090 -3.5585 1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -4.8917 -1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7955 -5.4338 0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0457 -6.1409 -1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5253 -4.4927 -0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1386 -5.5517 0.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1342 3.3233 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2146 2.2143 0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7177 3.2870 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7962 2.2652 -1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5283 5.2197 -0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7429 4.9263 0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3403 6.4077 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9441 6.5948 -1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4459 7.6091 -0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 7.6476 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8086 8.9530 -1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9417 9.7433 0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3036 8.7949 -0.4751 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 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 9 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 18 52 1 0 20 53 1 0 20 54 1 0 21 55 1 0 21 56 1 0 23 57 1 0 23 58 1 0 24 59 1 0 24 60 1 0 25 61 1 0 25 62 1 0 26 63 1 0 26 64 1 0 26 65 1 0 M END