Ketcher 03121816452D 1 1.00000 0.00000 0 44 47 0 1 0 999 V2000 14.2286 -85.0567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3626 -85.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0945 -85.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4966 -85.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3626 -86.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3700 -84.5978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0944 -85.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0945 -86.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6308 -85.5579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4966 -84.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3700 -83.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0944 -86.5578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9628 -85.0567 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.3874 -87.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7648 -85.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3626 -83.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6308 -83.5581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9628 -87.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8263 -85.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7648 -84.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8989 -85.5579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9628 -88.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8263 -86.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0329 -85.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8989 -86.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0969 -88.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8288 -88.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6923 -87.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0329 -84.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1671 -85.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0329 -87.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5581 -86.5578 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3010 -85.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1671 -86.5578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4266 -87.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3010 -87.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7492 -87.9921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2181 -86.4462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4352 -86.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1760 -88.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7565 -87.9921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0443 -87.0566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0944 -84.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3626 -84.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 1 1 1 0 0 4 2 1 0 0 0 2 5 2 0 0 0 3 6 1 6 0 0 7 3 1 0 0 0 3 8 1 0 0 0 4 9 1 1 0 0 10 4 1 0 0 0 4 44 1 1 0 0 6 11 1 0 0 0 7 12 1 0 0 0 7 13 1 0 0 0 7 43 1 6 0 0 8 12 1 0 0 0 8 14 2 0 0 0 9 15 1 0 0 0 10 16 1 0 0 0 10 17 1 1 0 0 12 18 1 0 0 0 13 19 1 0 0 0 15 20 2 0 0 0 15 21 1 0 0 0 18 22 1 0 0 0 18 23 2 0 0 0 19 23 1 0 0 0 21 24 1 0 0 0 21 25 1 0 0 0 22 26 1 0 0 0 22 27 2 0 0 0 23 28 1 0 0 0 24 29 2 0 0 0 24 30 1 0 0 0 25 31 1 0 0 0 28 32 1 0 0 0 30 33 2 0 0 0 30 34 1 0 0 0 31 34 1 0 0 0 32 35 1 0 0 0 34 36 1 0 0 0 35 37 1 0 0 0 35 38 2 0 0 0 36 39 1 0 0 0 37 40 1 0 0 0 37 41 1 0 0 0 38 42 1 0 0 0 41 42 2 0 0 0 M END