TDT2MOL Cc1cccc2c3ccnc(C=C)c3[nH]c12 28 30 0 0 0 0 0 -2.1000 2.6800 -0.0100 C 0 0 0 3 0 0 -2.1400 1.1800 0.0000 C 0 0 0 0 0 0 -3.3700 0.5100 0.0100 C 0 0 0 1 0 0 -3.4100 -0.8900 0.0200 C 0 0 0 1 0 0 -2.2100 -1.6300 0.0200 C 0 0 0 1 0 0 -1.0000 -0.9600 0.0100 C 0 0 0 0 0 0 0.3100 -1.4200 0.0100 C 0 0 0 0 0 0 0.7800 -2.7300 0.0100 C 0 0 0 1 0 0 2.1700 -2.9500 0.0100 C 0 0 0 1 0 0 3.0300 -1.8500 0.0000 N 0 0 0 0 0 0 2.5400 -0.5200 -0.0100 C 0 0 0 0 0 0 3.6100 0.5200 -0.0200 C 0 0 0 1 0 0 3.4900 1.8500 -0.0300 C 0 0 0 2 0 0 1.1700 -0.3100 0.0000 C 0 0 0 0 0 0 0.3800 0.8300 -0.0100 N 0 0 0 1 0 0 -0.9600 0.4400 0.0000 C 0 0 0 0 0 0 -1.6100 3.0300 -0.9200 H 0 0 0 0 0 0 -1.5500 3.0400 0.8700 H 0 0 0 0 0 0 -3.1300 3.0700 0.0200 H 0 0 0 0 0 0 -4.3100 1.0800 0.0200 H 0 0 0 0 0 0 -4.3700 -1.4200 0.0300 H 0 0 0 0 0 0 -2.2500 -2.7300 0.0300 H 0 0 0 0 0 0 0.0800 -3.5800 0.0200 H 0 0 0 0 0 0 2.5700 -3.9700 0.0100 H 0 0 0 0 0 0 4.6600 0.1200 -0.0200 H 0 0 0 0 0 0 2.5400 2.3800 -0.0200 H 0 0 0 0 0 0 4.4200 2.4600 -0.0300 H 0 0 0 0 0 0 0.6600 1.7900 -0.0100 H 0 0 0 0 0 0 1 2 1 0 2 16 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 16 2 0 6 7 1 0 7 14 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 11 14 2 0 14 15 1 0 15 16 1 0 17 1 1 0 18 1 1 0 19 1 1 0 20 3 1 0 21 4 1 0 22 5 1 0 23 8 1 0 24 9 1 0 25 12 1 0 26 13 1 0 27 13 1 0 28 15 1 0 M END $$$$