Mrv1652304272019052D 16 19 0 0 0 0 999 V2000 -3.3000 -1.4290 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 -3.3000 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 -0.8250 -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 -1.0799 1.1994 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 -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 -2.0625 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 -0.8250 0.0000 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 10 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 11 1 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 13 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 14 2 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 M END > CDB005873 > CDB > CC1=CC=C2CC3=CC=CC4=CC=C1C2=C34 > InChI=1S/C16H12/c1-10-5-6-13-9-12-4-2-3-11-7-8-14(10)16(13)15(11)12/h2-8H,9H2,1H3 > BXCZPBRYAKLJTN-UHFFFAOYSA-N > C16H12 > 204.272 > 204.093900386 > 0 > 28 > 23.959700437132895 > 1 > 0 > 0 > 1 > 4-methyltetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-1,3,5,7,9,11,13-heptaene > 5.07 > 4.584168929666667 > -6.41 > 0 > 4 > 0 > 17.022516361572734 > 0.0 > 67.67880000000001 > 0 > 1 > 7.86e-05 g/l > 4-methyltetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-1,3,5,7,9,11,13-heptaene > 1 > CDB005873 > Methyl-4H-cyclopenta[d e f] phenanthrene $$$$