HMDB0244005 RDKit 3D 1-Pyrenecarboxaldehyde 28 31 0 0 0 0 0 0 0 0999 V2000 4.0265 1.9352 0.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8993 0.7053 0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 -0.1123 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8359 -1.4973 0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7104 -2.2556 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4511 -1.7218 0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 -2.5101 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9641 -1.9699 0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1143 -0.6104 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3751 -0.0778 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5547 1.3028 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4075 2.0672 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1386 1.5412 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0309 2.3563 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2416 1.7836 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4466 0.4297 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2907 -0.3582 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9835 0.1752 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8599 0.1506 0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8198 -1.9258 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -3.3284 0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5618 -3.5665 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -2.5978 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2711 -0.6759 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5417 1.7070 -0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5436 3.1496 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1363 3.4402 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 2.4640 -0.0913 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 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 16 3 1 0 17 6 1 0 18 9 1 0 18 13 1 0 2 19 1 0 4 20 1 0 5 21 1 0 7 22 1 0 8 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 14 27 1 0 15 28 1 0 M END