BVI9H6 -OEChem-04022104253D 44 48 0 0 0 0 0 0 0999 V2000 -2.5825 3.8852 -0.2935 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7001 -3.5232 -0.2414 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5428 2.1590 -0.0981 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 1.0334 -0.1245 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -0.2044 -0.0129 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2358 3.4563 -0.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1178 4.2614 -0.1753 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 -1.1290 0.0269 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8252 2.2075 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5685 1.1497 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6764 1.0782 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2748 2.4291 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9252 3.4680 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 -0.0889 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 0.9886 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 -0.3942 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5994 -1.0249 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5019 -0.2385 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0583 -1.0818 -0.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 -1.3953 0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8334 -2.2385 -0.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9428 -2.3953 -0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6739 -0.3720 0.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7727 -2.2863 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9272 -0.9832 0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 -2.8975 -0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1032 -2.2459 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8213 -3.6176 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3377 2.3941 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1757 2.5374 1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7465 1.8121 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2565 -0.5283 -0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7742 0.5132 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2029 -0.9766 -1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 -1.4544 1.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5693 -3.0133 -1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5660 0.6077 1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9546 -2.8154 -0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7657 -0.4772 1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1639 -3.8800 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0790 -2.7220 0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5591 -2.8342 0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5103 -3.6319 1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3097 -4.5767 0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 22 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 10 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 13 2 0 0 0 0 8 16 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 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 25 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 M END $$$$