HMDB0256832 RDKit 3D Propoxur 30 30 0 0 0 0 0 0 0 0999 V2000 3.6472 2.4391 -1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9226 1.8519 0.0579 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 0.6314 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2256 0.0596 -1.2541 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5401 0.0677 0.8927 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8297 -1.1098 0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4861 -2.2840 1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 -3.4501 1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5845 -3.4389 0.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1895 -2.2202 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -1.0328 0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0808 0.1924 0.1912 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4036 0.4478 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9707 1.4164 0.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3323 1.1453 -1.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6719 3.5474 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2045 2.0951 -1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6836 2.0458 -1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9298 2.3346 0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5327 -2.3083 1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2551 -4.3822 1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1772 -4.3441 0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2295 -2.2224 0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0515 -0.4352 -0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 1.9399 1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5903 2.1820 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6708 0.8963 1.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 0.7617 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4474 2.2341 -1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3699 0.9394 -2.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 11 6 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 13 24 1 0 14 25 1 0 14 26 1 0 14 27 1 0 15 28 1 0 15 29 1 0 15 30 1 0 M END