B5M1ES -OEChem-04042107493D 35 38 0 0 0 0 0 0 0999 V2000 -4.8800 0.5410 -1.7186 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7667 1.0748 0.4578 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1573 -0.8639 0.1429 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6878 -2.6368 -0.0773 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0526 -2.2065 -0.2485 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 4.4516 0.1935 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2421 -1.0012 0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -1.7622 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0897 0.0800 -0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9082 -0.6162 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 0.3849 0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4968 -1.3069 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7497 -0.6954 1.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5261 -0.3703 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9486 0.0105 1.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8263 -0.8840 -0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9408 1.1697 -0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 1.0143 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8827 0.0227 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3755 1.8977 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6674 1.4010 -0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9713 -3.0109 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1536 3.3059 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8586 -2.4504 1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -2.3889 -0.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5204 -0.8476 -1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 0.0029 0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2177 -1.0007 2.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3504 0.2535 2.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8904 0.6937 -1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9864 2.2288 -1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3016 1.4305 0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9035 -0.3404 -0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5227 2.0719 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1603 -4.0750 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 3 27 1 0 0 0 0 4 12 2 0 0 0 0 4 22 1 0 0 0 0 5 16 1 0 0 0 0 5 22 2 0 0 0 0 6 23 3 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 13 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 26 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$