D0E8TW -OEChem-10191522272D 60 60 0 1 0 0 0 0 0999 V2000 11.6708 2.8882 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0233 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -0.5233 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.5010 -2.8893 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.3671 0.3427 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.7036 2.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 0.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1763 1.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -2.0233 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3671 0.3427 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0010 -2.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 -1.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3087 6.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0885 3.5927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4898 4.6108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 1.0700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1818 1.8131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 1.4767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6818 2.6791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -5.0233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -4.5233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -4.5233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -3.5233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.5233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 3.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5007 4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9075 5.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9020 5.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1115 0.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5195 2.3331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0791 1.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2916 3.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 1.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 0.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -2.9156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -3.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3102 -0.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4285 1.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8841 4.3369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1064 4.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5430 5.8168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 2 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 2 19 2 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 3 18 1 0 0 0 0 3 20 2 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 24 8 1 6 0 0 0 8 52 1 0 0 0 0 25 9 1 6 0 0 0 9 53 1 0 0 0 0 32 10 1 6 0 0 0 28 11 1 1 0 0 0 11 54 1 0 0 0 0 12 33 1 0 0 0 0 29 13 1 6 0 0 0 13 56 1 0 0 0 0 30 14 1 6 0 0 0 14 57 1 0 0 0 0 16 34 1 0 0 0 0 16 60 1 0 0 0 0 21 38 2 0 0 0 0 27 22 1 1 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 35 1 0 0 0 0 23 38 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 26 33 1 1 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 43 1 0 0 0 0 29 31 1 0 0 0 0 29 44 1 0 0 0 0 30 32 1 0 0 0 0 30 45 1 0 0 0 0 31 34 1 1 0 0 0 31 46 1 0 0 0 0 32 47 1 0 0 0 0 33 48 1 0 0 0 0 33 49 1 0 0 0 0 34 50 1 0 0 0 0 34 51 1 0 0 0 0 36 37 2 0 0 0 0 36 55 1 0 0 0 0 37 38 1 0 0 0 0 37 59 1 0 0 0 0 M CHG 4 4 1 5 1 17 -1 18 -1 M END $$$$