D04QJK -OEChem-10101305022D 42 46 0 0 0 0 0 0 0999 V2000 9.6063 0.3717 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 -1.4572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9170 -2.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 0.5911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 1.5978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1899 -0.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2940 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2940 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 -1.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 2.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5319 0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6063 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3929 1.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 2.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4017 3.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1864 3.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7114 2.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0412 1.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8779 1.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 2.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 -0.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7927 -0.3820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0412 -2.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 2.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 2.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9217 0.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3176 0.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8099 -0.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 22 1 0 0 0 0 3 18 2 0 0 0 0 4 25 2 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 41 1 0 0 0 0 8 25 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 15 2 0 0 0 0 14 18 1 0 0 0 0 14 21 2 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 22 2 0 0 0 0 19 23 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$