TDT2MOL O=C(C1C(C2CC1C=C2)c3ccccc3)N4CCOC4=O 38 41 0 0 0 0 0 -0.8000 -2.0400 -1.2200 O 0 0 0 0 0 0 -1.2300 -1.1400 -0.4500 C 0 0 0 0 0 0 -0.2200 -0.1700 0.1000 C 0 0 0 1 0 0 1.0000 0.0200 -0.7700 C 0 0 0 1 0 0 0.9900 1.5200 -1.0900 C 0 0 0 1 0 0 0.4500 2.1000 0.2300 C 0 0 0 2 0 0 -0.8300 1.2400 0.2100 C 0 0 0 1 0 0 -1.3400 1.5700 -1.2000 C 0 0 0 1 0 0 -0.2300 1.7500 -2.0000 C 0 0 0 1 0 0 2.3000 -0.3100 -0.1100 C 0 0 0 0 0 0 2.5000 -0.1700 1.2700 C 0 0 0 1 0 0 3.7400 -0.5000 1.8300 C 0 0 0 1 0 0 4.7800 -0.9600 1.0300 C 0 0 0 1 0 0 4.5900 -1.1000 -0.3500 C 0 0 0 1 0 0 3.3500 -0.7800 -0.9200 C 0 0 0 1 0 0 -2.6000 -1.0600 -0.1300 N 0 0 0 0 0 0 -3.2300 -0.0700 0.7800 C 0 0 0 2 0 0 -4.6100 -0.7500 0.8600 C 0 0 0 2 0 0 -4.8700 -1.0600 -0.3800 O 0 0 0 0 0 0 -3.6700 -1.9100 -0.5400 C 0 0 0 0 0 0 -4.1500 -2.8000 -0.9400 O 0 0 0 0 0 0 0.0100 -0.4900 1.1200 H 0 0 0 0 0 0 0.9800 -0.5500 -1.7100 H 0 0 0 0 0 0 1.8900 1.9600 -1.4400 H 0 0 0 0 0 0 0.2400 3.1700 0.1700 H 0 0 0 0 0 0 1.0900 1.8900 1.0800 H 0 0 0 0 0 0 -1.5000 1.4300 0.9900 H 0 0 0 0 0 0 -2.3700 1.6500 -1.5000 H 0 0 0 0 0 0 -0.2000 1.9900 -3.0400 H 0 0 0 0 0 0 1.7000 0.1900 1.9300 H 0 0 0 0 0 0 3.8900 -0.3800 2.9200 H 0 0 0 0 0 0 5.7600 -1.2100 1.4800 H 0 0 0 0 0 0 5.4100 -1.4600 -0.9900 H 0 0 0 0 0 0 3.1900 -0.8800 -2.0000 H 0 0 0 0 0 0 -2.7200 -0.0500 1.7300 H 0 0 0 0 0 0 -3.2900 0.8800 0.2800 H 0 0 0 0 0 0 -5.3600 0.0000 1.1800 H 0 0 0 0 0 0 -4.6300 -1.5500 1.6000 H 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 7 1 0 3 4 1 0 4 5 1 0 5 9 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 4 10 1 0 10 15 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 2 16 1 0 16 20 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 22 3 1 0 23 4 1 0 24 5 1 0 25 6 1 0 26 6 1 0 27 7 1 0 28 8 1 0 29 9 1 0 30 11 1 0 31 12 1 0 32 13 1 0 33 14 1 0 34 15 1 0 35 17 1 0 36 17 1 0 37 18 1 0 38 18 1 0 M END $$$$