HMDB0250616 RDKit 3D Cyanthoate 37 36 0 0 0 0 0 0 0 0999 V2000 -3.9943 2.9346 -0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4488 1.6679 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6757 0.9960 -1.1848 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0388 -0.4346 -0.5663 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3991 -0.5098 0.8977 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7378 -1.7924 -1.3205 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8684 -2.1334 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5903 -3.3196 -1.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0777 -0.4827 -0.8136 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8137 0.3833 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2799 0.4212 0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9687 1.0602 1.5501 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9849 -0.1058 -0.4085 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -0.0557 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9896 1.2436 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9255 -1.1612 0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 -0.2999 -1.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2282 -0.4882 -2.8729 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 3.4266 -1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8882 2.7594 -1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2903 3.6751 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8372 1.9004 0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3094 1.0398 0.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5251 -2.4202 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5665 -1.2791 -0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0568 -4.2565 -0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7819 -3.2649 -2.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 -3.3843 -0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4355 -0.0671 1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4568 1.4477 0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7746 1.9916 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2648 1.1951 1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 1.4918 -0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 2.1024 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4049 -2.0851 0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6151 -0.9343 1.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0217 -1.2619 0.3881 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 4 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 3 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 17 18 3 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 10 30 1 0 12 31 1 0 15 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 16 37 1 0 M END