D0T8MM -OEChem-10191521212D 43 45 0 1 0 0 0 0 0999 V2000 11.3345 3.6516 0.0000 S 3 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.4854 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.1980 2.6635 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.9209 2.8416 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 0.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 3.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 1.6754 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8888 3.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 2.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6063 3.5764 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7897 1.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7309 3.4280 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.5073 2.0316 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6783 -0.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.1464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 1.2237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 2.0317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.4136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.7210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.7766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.0255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.7629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.4433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 14 2 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 22 6 1 6 0 0 0 6 38 1 0 0 0 0 23 7 1 6 0 0 0 7 39 1 0 0 0 0 8 26 1 0 0 0 0 24 17 1 1 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 28 2 0 0 0 0 18 29 1 0 0 0 0 19 27 2 0 0 0 0 19 31 1 0 0 0 0 20 30 1 0 0 0 0 20 31 2 0 0 0 0 21 30 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 32 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 25 26 1 1 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 27 29 1 0 0 0 0 28 40 1 0 0 0 0 29 30 2 0 0 0 0 31 41 1 0 0 0 0 M CHG 4 10 -1 13 -1 15 -1 16 -1 M ISO 1 1 35 M END $$$$