B5JDG2 -OEChem-04012116122D 43 46 0 0 0 0 0 0 0999 V2000 6.8497 3.6905 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 0.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.0767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.5686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2262 -2.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6882 -3.0735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -1.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 -2.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 2.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 2.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 3.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2279 -3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0342 -1.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2774 -3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 0.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 1.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 4.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -1.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2384 -0.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6581 1.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 2.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 3.7459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7301 -3.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3994 -2.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5351 -1.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6689 -1.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0868 -4.4714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 22 1 0 0 0 0 2 15 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 33 1 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 19 2 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 12 20 2 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$