HMDB0042002 RDKit 3D Pyrene 26 29 0 0 0 0 0 0 0 0999 V2000 3.2961 1.1863 0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0099 -0.1624 0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7155 -0.6379 0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 -1.9873 0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1269 -2.4549 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -1.5857 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -2.0317 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -1.1681 -0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0065 0.1799 -0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7092 0.6377 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4121 1.9854 -0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1149 2.4542 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9478 1.5844 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2467 2.0579 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 0.2352 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6474 -0.2356 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 1.4887 0.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7924 -0.9159 0.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 -2.6765 0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -3.5070 0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -3.1054 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3206 -1.5197 -0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8372 0.8723 -0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 2.6658 -0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0662 3.5194 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4523 3.1210 0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 14 1 1 0 15 3 1 0 16 6 1 0 16 10 1 0 1 17 1 0 2 18 1 0 4 19 1 0 5 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 11 24 1 0 12 25 1 0 14 26 1 0 M END