BETD61 -OEChem-04012116162D 40 43 0 1 0 0 0 0 0999 V2000 5.5100 0.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6567 3.2014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9217 0.4601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0188 -0.9442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4549 -2.5819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3186 -1.2746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3979 2.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0252 1.6434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6832 2.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4201 4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7969 1.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2862 4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0557 2.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0436 1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 -1.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7002 -3.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5639 -1.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7547 -2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1908 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8033 2.7045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4889 3.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0974 2.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1154 4.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 3.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6019 1.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3908 1.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8679 4.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0229 5.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6496 2.5148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2506 3.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9896 2.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4237 1.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6051 -1.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8185 -3.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9777 -1.7289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5822 -4.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3091 -5.1586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7994 -4.4317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 1 0 0 0 1 16 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 2 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 35 1 0 0 0 0 6 17 1 0 0 0 0 6 18 2 0 0 0 0 7 17 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$