B5X1MD -OEChem-04022106213D 39 40 0 0 0 0 0 0 0999 V2000 -0.9417 -1.9846 -0.3215 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5064 0.1992 0.2388 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 -0.4210 0.1359 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4904 0.2688 -0.4041 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0541 -1.1178 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 1.2312 -0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8302 0.5081 -0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6993 -1.4632 0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1509 0.9464 0.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7046 -0.7428 -0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4687 1.6198 0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6134 -0.8001 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8901 0.2808 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6239 1.4430 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5344 -0.8697 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0016 1.4549 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9121 -0.8577 0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6457 0.3046 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7063 -1.9327 0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9825 -1.1475 -1.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4574 1.2926 -1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8402 2.2194 0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7588 0.8483 -1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3572 -2.4273 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.5673 1.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1842 1.0269 1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4553 1.7102 0.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7406 -1.2312 0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4142 -1.4684 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7388 -0.4675 -0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5100 1.3556 1.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9378 2.5715 0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4973 1.8015 0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1101 1.1527 -0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1344 2.3463 -0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0197 -1.7940 0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5728 2.3599 -0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4139 -1.7510 0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7182 0.3143 0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 34 1 0 0 0 0 5 8 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 9 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 17 2 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 M END $$$$