B7TYQ5 -OEChem-04022112083D 40 41 0 0 0 0 0 0 0999 V2000 -2.9120 0.0273 -1.8039 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0845 -3.6000 1.0418 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9712 -2.6913 -0.7645 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -0.3915 2.2015 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2544 -0.0713 1.1533 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 1.4906 -0.0907 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 1.9565 1.6034 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4023 -1.1027 -1.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4112 -0.5926 -2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7274 -2.1329 -0.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8711 -0.5340 -1.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8193 -0.9956 -0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 -2.5944 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4941 -2.0259 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 1.3350 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3866 1.3221 0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1471 -0.4024 -0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5821 2.3876 -1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 2.3619 1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0504 3.4276 -0.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1868 3.4147 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0745 0.2470 1.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 0.6739 0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -4.0127 1.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 1.1236 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 1.3795 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 0.1981 -3.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 -1.4041 -3.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1254 0.2696 -2.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2709 -2.3451 0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8713 -0.9111 -1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4698 2.4287 -2.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9552 2.3697 2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5316 4.2482 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7736 4.2248 1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 -2.2598 -1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5257 -4.8184 2.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2258 -3.2067 2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8021 -4.4321 1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 -1.1147 2.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 2 24 1 0 0 0 0 3 10 1 0 0 0 0 3 36 1 0 0 0 0 4 22 1 0 0 0 0 4 40 1 0 0 0 0 5 22 2 0 0 0 0 6 25 3 0 0 0 0 7 26 3 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$