BE8PI3 -OEChem-04012117402D 48 50 0 1 0 0 0 0 0999 V2000 5.3548 1.2890 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 -0.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 -2.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7735 5.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0586 4.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.9731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.5826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4327 4.1438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -0.4045 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9889 -2.0226 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4026 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 -0.7152 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9405 -1.7152 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6844 0.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0474 2.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7178 2.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4104 3.9342 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -3.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0809 4.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 0.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -2.4617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9425 -0.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -1.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 -0.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4934 -1.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3035 1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1364 0.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3182 -0.3820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 -2.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 2.7299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4995 1.9505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0987 2.4934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2658 3.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2199 4.5242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -6.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2421 4.7338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 3.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1892 6.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 15 1 0 0 0 0 2 35 1 0 0 0 0 3 16 1 0 0 0 0 3 36 1 0 0 0 0 4 26 1 0 0 0 0 4 48 1 0 0 0 0 5 26 2 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 19 2 0 0 0 0 7 20 1 0 0 0 0 8 18 2 0 0 0 0 8 25 1 0 0 0 0 9 23 1 0 0 0 0 9 25 2 0 0 0 0 10 23 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 24 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 19 37 1 0 0 0 0 20 23 2 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$