Ketcher 09251816022D 1 1.00000 0.00000 0 43 44 0 0 0 999 V2000 12.4596 -4.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3256 -3.5049 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.1916 -4.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8256 -2.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8256 -2.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0923 -2.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4974 -3.1266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4736 -3.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5780 -4.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6652 -4.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0003 -3.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0185 -4.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7127 -5.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3774 -5.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3594 -5.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4490 -4.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4490 -5.8324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3143 -6.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3143 -7.3348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1797 -7.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0451 -7.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0451 -6.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9105 -5.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9105 -7.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9105 -8.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0451 -9.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1797 -8.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0451 -10.3339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1797 -10.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3143 -10.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4490 -10.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1797 -11.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7759 -9.3341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6468 -8.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5124 -9.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3778 -8.8371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2431 -9.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3778 -7.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7759 -10.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1797 -5.8324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1797 -4.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3143 -4.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5300 -3.9850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 2 0 0 0 2 5 2 0 0 0 9 10 1 0 0 0 11 10 1 0 0 0 7 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 15 14 1 0 0 0 10 15 2 0 0 0 9 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 21 24 1 0 0 0 24 25 2 0 0 0 26 25 1 0 0 0 27 26 2 0 0 0 20 27 1 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 29 32 2 0 0 0 25 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 36 38 1 0 0 0 33 39 1 0 0 0 18 40 2 0 0 0 41 40 1 0 0 0 42 41 2 0 0 0 16 42 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 M CHG 2 3 -1 43 1 M END