HMDB0245178 RDKit 3D N-(1-Pyrenyl)iodoacetamide 33 36 0 0 0 0 0 0 0 0999 V2000 4.1828 1.0623 -1.4694 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 0.0800 -0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3485 -0.7129 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5157 0.2723 1.0552 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8883 -0.2993 -0.1154 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6646 0.3787 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6606 1.6793 -0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 2.3694 -0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 1.7317 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9136 2.4051 -0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 1.8126 -0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1026 0.5006 0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2728 -0.1365 0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2898 -1.4253 0.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1031 -2.1114 1.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9069 -1.5033 0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 -2.1683 0.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4784 -1.5595 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4675 -0.2571 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7207 0.4276 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9148 -0.1930 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8993 -0.8879 -1.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0122 -1.7017 -0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8745 -1.1352 0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5529 2.2405 -1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4007 3.3804 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9264 3.4351 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0409 2.2944 -0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1827 0.4287 0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2233 -1.9205 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0913 -3.1272 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 -3.1975 1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 -2.1621 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 2 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 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 19 6 1 0 20 9 1 0 21 12 1 0 21 16 1 0 3 22 1 0 3 23 1 0 5 24 1 0 7 25 1 0 8 26 1 0 10 27 1 0 11 28 1 0 13 29 1 0 14 30 1 0 15 31 1 0 17 32 1 0 18 33 1 0 M END