BVT89E -OEChem-04012114222D 44 47 0 1 0 0 0 0 0999 V2000 9.7423 -2.4860 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4880 -1.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9965 -3.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 0.4969 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8717 2.6117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3717 1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0627 2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6868 0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0473 2.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0567 0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 2.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0772 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7435 -0.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7224 -0.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4308 -1.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0760 -1.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3887 -0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0971 -1.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4085 -3.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4604 -0.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -0.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2869 2.8280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5249 2.5901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9652 1.9780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7962 1.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 3.2317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 -0.2992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5376 0.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5869 -0.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4623 -0.6619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8809 2.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0050 1.6188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9163 0.5442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8238 -1.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9956 -0.6639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9032 -2.5334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9462 -3.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8216 -3.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8709 -2.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 21 1 0 0 0 0 1 24 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 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 17 1 0 0 0 0 16 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 20 23 2 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$