B1TIM7 -OEChem-04022115223D 27 29 0 0 0 0 0 0 0999 V2000 -3.9866 1.6154 0.0185 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 0.3677 -0.0611 P 0 0 0 0 0 0 0 0 0 0 0 0 3.1631 -0.8835 -0.0552 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 1.0452 1.3948 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6305 -0.3542 0.0653 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0594 1.2968 -1.2331 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5064 -0.9674 0.0087 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7990 -0.3543 0.0321 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 0.5394 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0748 1.7701 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 -0.6543 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3988 1.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3339 -0.2828 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2051 0.4809 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3711 -1.9048 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8028 -0.7836 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0252 -1.9599 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -0.0597 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9117 2.3631 0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9296 2.3669 -0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 1.4062 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9626 -2.8131 -0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5179 -2.9296 -0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1338 -1.3121 0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5074 0.3722 0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4785 1.8723 1.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4419 0.1908 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 16 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 7 13 1 0 0 0 0 7 18 2 0 0 0 0 8 18 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 14 16 2 0 0 0 0 14 21 1 0 0 0 0 15 17 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 17 23 1 0 0 0 0 M END $$$$