Mrv1652304272019082D 21 24 0 0 0 0 999 V2000 -5.7750 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 16 2 0 0 0 0 7 18 2 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 10 19 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 20 2 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 M END > CDB005910 > CDB > CCC1=C(C)C2=CC=C3C4=CC=CC=C4C=CC3=C2C=C1 > InChI=1S/C21H18/c1-3-15-8-10-19-17(14(15)2)12-13-20-18-7-5-4-6-16(18)9-11-21(19)20/h4-13H,3H2,1-2H3 > GYDNZXVOALVYRW-UHFFFAOYSA-N > C21H18 > 270.375 > 270.14085058 > 0 > 39 > 33.00941303540293 > 1 > 0 > 0 > 0 > 2-ethyl-1-methylchrysene > 6.81 > 6.413087529666667 > -8.46 > 0 > 4 > 0 > 0.0 > 90.09199999999998 > 1 > 0 > 9.47e-07 g/l > 2-ethyl-1-methylchrysene > 1 > CDB005910 > Ethylmethylchrysene $$$$