Mrv1652304272018522D 15 17 0 0 0 0 999 V2000 0.8250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1394 -1.1414 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 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8783 -2.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5457 -2.6330 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 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3857 -1.4769 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 -0.9645 -1.3276 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 -1.7182 -0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 -2.2974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -0.1715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 14 2 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 13 15 1 0 0 0 0 M END > CDB005755 > CDB > CC1=CC2=C(C=C1)C1=CC=NC(C)=C1N2 > InChI=1S/C13H12N2/c1-8-3-4-10-11-5-6-14-9(2)13(11)15-12(10)7-8/h3-7,15H,1-2H3 > IGWSJKQTVMTNDK-UHFFFAOYSA-N > C13H12N2 > 196.253 > 196.100048394 > 1 > 27 > 22.60841247656869 > 1 > 1 > 0 > 1 > 1,7-dimethyl-9H-pyrido[3,4-b]indole > 3.60 > 2.5180048206666665 > -3.68 > 0 > 3 > 0 > 13.860485848575436 > 6.062984071271175 > 28.68 > 60.94799999999999 > 0 > 1 > 4.06e-02 g/l > 1,7-dimethyl-9H-pyrido[3,4-b]indole > 1 > CDB005755 > 1,7-Dimethyl-beta-carboline $$$$