BX2QE3 -OEChem-04042102493D 41 43 0 0 0 0 0 0 0999 V2000 -1.1488 0.7955 0.8155 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8909 2.2151 0.9691 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9813 -0.0937 1.9489 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 0.2133 -0.5320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9146 1.9368 -0.3971 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1234 -2.6124 -0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2703 -1.6566 -0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0755 -0.2811 -0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1374 0.6172 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5479 -2.1585 0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4319 0.1005 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0768 -3.3830 1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2546 -3.6012 -1.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -1.2829 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8169 0.6355 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5011 1.0043 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 2.3647 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9738 2.7756 -0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 -0.5468 0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4259 1.6900 -0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8346 -0.6746 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7392 1.5623 -0.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4436 0.3800 -0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -2.0805 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7299 -3.2226 0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2682 0.8635 -1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 -4.0587 1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9878 -3.9899 1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1735 -2.6986 1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1141 -4.2695 -1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3736 -3.0660 -2.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6422 -4.2256 -1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6243 -1.6860 0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5168 0.6526 0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0897 3.0774 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7358 3.8268 -0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 -1.3823 0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8937 2.6165 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3824 -1.5958 0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2130 2.3826 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4658 0.2803 -1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 15 1 0 0 0 0 4 8 1 0 0 0 0 4 26 1 0 0 0 0 5 9 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 11 2 0 0 0 0 10 14 2 0 0 0 0 10 25 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$