HMDB0031796 RDKit 3D Isofenphos 46 46 0 0 0 0 0 0 0 0999 V2000 -4.2512 3.4909 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 2.0725 0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4459 1.9150 0.7067 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9634 0.3446 0.3510 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9890 -0.2808 -0.9176 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -0.6079 1.8133 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8054 -1.8383 1.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9549 -2.5957 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1334 -2.6685 2.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 0.2614 -0.0864 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2146 0.7957 -1.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5812 1.4753 -2.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0237 2.0047 -3.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 1.8416 -3.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1132 1.1704 -2.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 0.6366 -1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 -0.0744 -0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 -0.5398 0.5734 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7396 -0.2665 -0.5934 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5634 -0.9459 0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2581 -2.0776 -0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 0.0001 0.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8655 3.4418 1.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3427 4.0804 1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8295 3.9637 0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3864 1.3257 1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1371 1.8635 -0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6266 -0.0820 2.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7662 -1.6029 0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2424 -1.8846 0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3749 -3.4248 0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 -3.0189 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6725 -3.6703 2.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7599 -2.1799 3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2357 -2.7343 2.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6439 1.5956 -1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 2.5249 -4.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 2.2455 -4.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 1.0358 -2.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0184 -1.3288 1.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4831 -2.6280 -0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8501 -2.7131 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9055 -1.5848 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0795 0.5452 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3891 -0.6280 1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1996 0.7450 1.5578 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 4 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 16 11 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 6 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 9 35 1 0 12 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 20 40 1 0 21 41 1 0 21 42 1 0 21 43 1 0 22 44 1 0 22 45 1 0 22 46 1 0 M END