$RXN 2 1 0 $MOL Ketcher 04131617372D 1 1.00000 0.00000 0 6 6 0 1 0 999 V2000 0.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 M END $MOL Ketcher 04131617372D 1 1.00000 0.00000 0 43 42 0 1 0 999 V2000 3.7320 -2.0002 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0 7.1962 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 1 8.0622 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0 8.9282 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0 9.7943 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 5 0 0 10.6603 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 6 0 0 11.5264 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 7 0 0 12.3925 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2584 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1245 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9905 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8566 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7226 -2.5001 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 17.5886 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4547 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3207 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1867 -2.5001 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 17.5886 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4547 -0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4547 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3207 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3207 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1867 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5886 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7226 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8566 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 1 0 14.9905 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1245 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2584 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3925 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5264 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8566 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9905 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9905 3.5001 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 14.1245 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7943 -0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7943 0.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2584 -3.5001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0001 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 17 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 23 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 29 35 1 6 0 0 35 36 1 0 0 0 36 37 1 0 0 0 31 38 1 0 0 0 9 39 1 1 0 0 39 40 1 0 0 0 40 41 1 0 0 0 12 42 1 6 0 0 3 43 1 0 0 0 7 6 1 0 0 0 M CHG 1 27 2 M ISO 1 21 13 M RAD 1 24 1 M RGP 2 20 2 37 1 M RBC 1 33 -2 M SUB 1 18 -2 M UNS 1 4 1 M STY 1 1 DAT M SLB 1 1 1 M SAL 1 1 9 M SDT 1 Purity M SDD 1 -1.9546 -2.1107 DR ALL 1 0 M SED 1 Purity = 50% M END $MOL Ketcher 04131617372D 1 1.00000 0.00000 0 19 18 0 1 0 999 V2000 26.1867 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0527 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0 27.9187 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0 28.7847 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0 29.6509 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0 30.5169 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 5 0 0 31.3829 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 6 0 0 32.2489 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 7 0 0 33.1150 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9811 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8471 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7131 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5792 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4452 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3112 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1772 -0.7500 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 31.3829 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8471 0.7500 0.0000 X 0 0 0 0 0 0 0 0 0 0 0 0 36.5792 0.7500 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 3 0 0 3 4 1 0 2 0 4 5 8 0 0 0 5 6 1 0 1 0 6 7 4 0 0 0 7 8 1 0 0 -1 8 9 5 0 0 0 9 10 1 0 0 4 10 11 6 0 0 0 11 12 1 0 0 8 12 13 7 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 7 17 1 0 0 0 11 18 1 0 0 0 13 19 1 0 0 0 A 17 CYC M ALS 16 4 T C Si Ge As M ALS 19 4 F B C N P M END