B5QW2S -OEChem-04012120362D 29 28 0 1 0 0 0 0 0999 V2000 3.7320 -0.8240 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 -3.6760 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 3.6760 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.2320 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 1.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6760 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7569 -2.7106 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0848 -2.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6064 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6064 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -1.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0512 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8164 -1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9112 -0.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 6 14 2 0 0 0 0 7 20 1 0 0 0 0 8 20 2 0 0 0 0 9 22 1 0 0 0 0 10 22 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 6 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 19 1 0 0 0 0 18 22 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 M CHG 4 2 1 3 1 7 -1 9 -1 M END $$$$