D0M0QJ -OEChem-10101305022D 45 48 0 0 0 0 0 0 0999 V2000 6.0052 -0.1986 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.0907 0.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0907 -1.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 -1.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -1.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6804 -0.0645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0824 0.4355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1688 0.0288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -0.3508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8144 0.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9484 -0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5464 0.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4125 -0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2785 0.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1445 -0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4125 -1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1445 -1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4997 0.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9778 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2785 -1.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9997 1.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6744 -0.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9225 1.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2129 0.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4159 0.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5498 -0.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3469 -0.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9450 0.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1479 0.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6804 -0.6845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2785 1.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8755 -1.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4386 1.8449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2785 -2.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7475 2.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1352 -0.9792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1352 -0.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9649 2.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3855 1.3138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2039 0.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 25 1 0 0 0 0 2 15 1 0 0 0 0 2 23 1 0 0 0 0 3 17 1 0 0 0 0 3 23 1 0 0 0 0 4 27 2 0 0 0 0 5 9 1 0 0 0 0 5 45 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 8 18 2 0 0 0 0 9 27 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 17 2 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$