B6F3MP -OEChem-04042105013D 43 43 0 0 0 0 0 0 0999 V2000 -3.9291 -1.8379 -1.5132 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4432 2.0818 -0.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5214 -0.9923 0.6676 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7676 0.6060 -0.5188 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3431 1.5699 0.3645 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7459 -0.6606 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4316 0.6840 -0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1485 -1.1489 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 -1.7042 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5011 1.7300 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2149 -0.0999 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8947 1.2376 -0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -1.4640 0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6518 -2.5286 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 -2.2724 1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3713 -0.7117 -0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1715 2.2513 0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8524 3.2598 1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7397 -0.5149 1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4657 1.0733 -0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 0.5538 -1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1767 -1.3912 -1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3876 -2.0721 0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0615 -2.7045 0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5093 -1.7072 -1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4768 1.9737 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2779 2.6553 -0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -0.4564 -0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2903 0.0372 1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6418 1.9829 -0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9614 1.1320 -1.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 -0.4731 0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -1.4753 1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2749 -3.5185 0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8139 -2.5445 -0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 -2.2694 2.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -3.0703 0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2761 -0.2131 1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3882 0.9163 -1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9231 1.7303 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 2.7433 2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7506 3.8147 1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1091 3.9690 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 2 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 39 1 0 0 0 0 5 17 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 13 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 18 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 M END $$$$