Mrv1652304272019092D 21 25 0 0 0 0 999 V2000 -0.4125 2.1434 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 -3.6920 -1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9776 -1.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2631 -1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 2.1434 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 -0.8250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 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 -2.9776 -0.1395 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 -2.2631 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.7145 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 1 13 1 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 14 2 0 0 0 0 8 16 2 0 0 0 0 9 17 2 0 0 0 0 10 18 2 0 0 0 0 11 15 1 0 0 0 0 12 19 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 17 1 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 M END > CDB005919 > CDB > CC1=C2C=CC=C3C4=CC=CC=C4C(=C23)C2=CC=CC=C12 > InChI=1S/C21H14/c1-13-14-7-2-4-9-17(14)21-18-10-5-3-8-16(18)19-12-6-11-15(13)20(19)21/h2-12H,1H3 > BHVMMLWBOVIGJX-UHFFFAOYSA-N > C21H14 > 266.343 > 266.109550451 > 0 > 35 > 31.407256121471537 > 1 > 0 > 0 > 0 > 13-methylpentacyclo[10.7.1.0^{2,7}.0^{8,20}.0^{14,19}]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene > 6.43 > 5.786825626666667 > -8.05 > 0 > 5 > 0 > 0.0 > 88.21399999999997 > 0 > 0 > 2.37e-06 g/l > 13-methylpentacyclo[10.7.1.0^{2,7}.0^{8,20}.0^{14,19}]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene > 1 > CDB005919 > Methylbenzofluoranthene $$$$