Ketcher 05161811462D 1 1.00000 0.00000 0 44 48 0 1 0 999 V2000 8.3597 -3.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3597 -4.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0365 -4.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7133 -4.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7133 -3.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0366 -3.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 -4.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2775 -4.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9544 -4.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9545 -3.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2776 -3.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 -3.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 -2.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3981 -6.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0749 -6.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7212 -7.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3981 -7.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0749 -7.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7212 -6.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3924 -4.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 -5.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -4.6415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8434 -2.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8435 -2.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6031 -4.6443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0539 -5.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0357 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7956 -1.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8383 -7.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8269 -6.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9547 -7.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1872 -7.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8906 -6.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2080 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1966 -7.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8676 -7.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5501 -7.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5616 -6.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9095 -4.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4321 -9.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5370 -6.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5141 -7.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2440 -6.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9151 -6.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 12 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 8 7 1 0 0 0 10 13 1 6 0 0 14 20 1 6 0 0 7 20 1 6 0 0 1 13 1 6 0 0 8 21 1 1 0 0 9 22 1 6 0 0 12 23 1 1 0 0 24 23 1 0 0 0 1 6 1 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 2 1 1 0 0 0 2 25 1 1 0 0 3 26 1 6 0 0 6 27 1 1 0 0 28 27 1 0 0 0 17 16 1 0 0 0 18 15 1 0 0 0 15 14 1 0 0 0 14 19 1 0 0 0 19 16 1 0 0 0 18 17 1 0 0 0 18 29 1 1 0 0 15 30 1 6 0 0 16 31 1 1 0 0 32 31 1 0 0 0 33 39 1 6 0 0 33 38 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 34 33 1 0 0 0 34 41 1 1 0 0 35 42 1 6 0 0 38 43 1 1 0 0 44 43 1 0 0 0 17 40 1 6 0 0 4 39 1 6 0 0 36 40 1 6 0 0 M STY 1 1 SRU M SLB 1 1 1 M SCN 1 1 HT M SMT 1 n M SAL 1 11 7 8 9 10 11 12 20 21 22 23 24 M SBL 1 2 7 8 M SDI 1 4 6.0868 -2.5253 6.9830 -3.7282 M SDI 1 4 3.8433 -6.0673 2.9471 -4.8644 M END