B2BTY6 -OEChem-04012116512D 53 55 0 1 0 0 0 0 0999 V2000 10.6603 -1.3877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1523 -1.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -1.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8877 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1523 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 0.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 -0.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 0.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 0.4223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.1493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1451 1.2670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5941 0.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4223 0.0000 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 20 1 0 0 0 0 2 28 1 0 0 0 0 3 28 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 9 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 11 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 18 1 0 0 0 0 10 39 1 0 0 0 0 10 40 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 12 41 1 0 0 0 0 13 16 2 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 27 3 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 22 2 0 0 0 0 21 24 2 0 0 0 0 21 46 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$