B3U5TS -OEChem-04012119192D 42 45 0 0 0 0 0 0 0999 V2000 6.6233 -3.3967 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6688 -2.8758 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5231 1.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2248 0.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2964 -2.2834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9240 -1.6910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 1.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1212 1.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9544 -1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1212 2.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3892 1.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9697 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0152 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 3.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3892 2.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0152 3.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2812 -2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9212 1.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9212 2.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3269 -1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 -0.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6859 0.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8658 0.4697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 0.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 3.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8979 -2.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8522 3.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 4.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5346 -1.7986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4570 1.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0261 0.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4570 3.1949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9435 -2.2374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 0.5259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9862 1.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 23 1 0 0 0 0 3 13 1 0 0 0 0 3 41 1 0 0 0 0 4 14 2 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 5 32 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 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 16 2 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 12 19 2 0 0 0 0 13 18 1 0 0 0 0 15 23 1 0 0 0 0 15 24 2 0 0 0 0 16 21 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 19 34 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 37 1 0 0 0 0 25 27 1 0 0 0 0 25 39 1 0 0 0 0 26 27 2 0 0 0 0 26 40 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$