B2LGS3 -OEChem-04022117023D 49 53 0 0 0 0 0 0 0999 V2000 -3.4895 -0.0723 -0.0292 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3143 -2.4426 -0.0597 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7309 0.1157 -0.0021 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -2.2024 -0.0205 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1518 -3.4787 -0.0545 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2295 2.2299 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8303 2.2810 -0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2749 1.2212 1.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3597 0.8987 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8085 -0.1593 0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6987 -1.2280 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3058 -1.1020 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5561 -2.2801 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6102 0.1610 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 -0.9854 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4977 -3.5021 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1748 1.4895 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8006 -1.0013 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4597 2.1511 -1.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 2.1179 1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4902 -1.0255 1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5108 -0.9943 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 3.4354 -1.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9795 3.4023 1.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8849 -1.0429 1.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 -1.0118 -1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2631 4.0612 0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5926 -1.0361 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5132 3.2220 0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9561 1.9504 -0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8177 2.9706 -1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1296 2.6776 0.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6315 1.5714 1.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2933 1.1547 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9767 0.5601 -1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3419 0.9885 -1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7691 -0.8119 1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5331 -0.5904 -0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9648 -4.4787 -0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2621 1.6781 -2.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 1.6188 2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9539 -1.0319 2.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9908 -0.9761 -2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 3.9485 -2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 3.8895 2.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4200 -1.0617 2.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4567 -1.0063 -2.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6863 5.0612 0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6785 -1.0496 0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 2 16 1 0 0 0 0 3 12 1 0 0 0 0 3 14 2 0 0 0 0 4 13 1 0 0 0 0 4 15 2 0 0 0 0 5 13 1 0 0 0 0 5 16 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 40 1 0 0 0 0 20 24 2 0 0 0 0 20 41 1 0 0 0 0 21 25 1 0 0 0 0 21 42 1 0 0 0 0 22 26 2 0 0 0 0 22 43 1 0 0 0 0 23 27 2 0 0 0 0 23 44 1 0 0 0 0 24 27 1 0 0 0 0 24 45 1 0 0 0 0 25 28 2 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$