TDT2MOL Cc1nc(c2ccc3C(=O)C=CC(=O)c3n2)c4[nH]c5ccccc5c4c1C 42 46 0 0 0 0 0 1.7500 4.2200 -0.6000 C 0 0 0 3 0 0 1.4000 2.7800 -0.3700 C 0 0 0 0 0 0 0.0600 2.3800 -0.3600 N 0 0 0 0 0 0 -0.2700 1.0300 -0.1400 C 0 0 0 0 0 0 -1.6600 0.6200 -0.1300 C 0 0 0 0 0 0 -2.6700 1.6000 -0.0800 C 0 0 0 1 0 0 -4.0200 1.2100 -0.0700 C 0 0 0 1 0 0 -4.3600 -0.1400 -0.1100 C 0 0 0 0 0 0 -5.7900 -0.5700 -0.1000 C 0 0 0 0 0 0 -6.7000 0.2900 -0.0500 O 0 0 0 0 0 0 -6.1400 -2.0300 -0.1400 C 0 0 0 1 0 0 -5.1700 -2.9700 -0.1900 C 0 0 0 1 0 0 -3.7200 -2.5700 -0.2000 C 0 0 0 0 0 0 -2.8300 -3.4400 -0.2500 O 0 0 0 0 0 0 -3.3500 -1.1200 -0.1600 C 0 0 0 0 0 0 -2.0000 -0.7300 -0.1700 N 0 0 0 0 0 0 0.7500 0.1000 0.0600 C 0 0 0 0 0 0 0.7100 -1.2700 0.2900 N 0 0 0 1 0 0 2.0300 -1.7100 0.4300 C 0 0 0 0 0 0 2.5500 -2.9800 0.6700 C 0 0 0 1 0 0 3.9400 -3.1400 0.7500 C 0 0 0 1 0 0 4.7900 -2.0400 0.6000 C 0 0 0 1 0 0 4.2500 -0.7600 0.3600 C 0 0 0 1 0 0 2.8700 -0.6100 0.2700 C 0 0 0 0 0 0 2.0900 0.5100 0.0500 C 0 0 0 0 0 0 2.4200 1.8400 -0.1700 C 0 0 0 0 0 0 3.8600 2.2800 -0.1800 C 0 0 0 3 0 0 2.4500 4.2900 -1.4500 H 0 0 0 0 0 0 2.2300 4.6300 0.3000 H 0 0 0 0 0 0 0.8400 4.7900 -0.8300 H 0 0 0 0 0 0 -2.4000 2.6600 -0.0500 H 0 0 0 0 0 0 -4.8100 1.9800 -0.0300 H 0 0 0 0 0 0 -7.2000 -2.3400 -0.1300 H 0 0 0 0 0 0 -5.4400 -4.0300 -0.2200 H 0 0 0 0 0 0 -0.1100 -1.8400 0.3600 H 0 0 0 0 0 0 1.8900 -3.8500 0.7900 H 0 0 0 0 0 0 4.3600 -4.1400 0.9400 H 0 0 0 0 0 0 5.8800 -2.1700 0.6700 H 0 0 0 0 0 0 4.9300 0.1000 0.2400 H 0 0 0 0 0 0 4.3700 1.8300 -1.0500 H 0 0 0 0 0 0 4.3500 1.9500 0.7500 H 0 0 0 0 0 0 3.9100 3.3700 -0.2500 H 0 0 0 0 0 0 1 2 1 0 2 26 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 16 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 15 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 4 17 2 0 17 25 1 0 17 18 1 0 18 19 1 0 19 24 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 28 1 1 0 29 1 1 0 30 1 1 0 31 6 1 0 32 7 1 0 33 11 1 0 34 12 1 0 35 18 1 0 36 20 1 0 37 21 1 0 38 22 1 0 39 23 1 0 40 27 1 0 41 27 1 0 42 27 1 0 M END $$$$