BN29ML -OEChem-04012115162D 49 53 0 1 0 0 0 0 0999 V2000 9.5835 -1.8630 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9565 -5.5172 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9824 5.5172 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 4.8898 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6098 4.2498 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9456 -5.3081 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0012 -1.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8311 0.3550 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1932 -3.0901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 2.8376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 2.8376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 1.6543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4189 -0.4540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0121 -1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5999 -2.1766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4134 -0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5944 -2.0720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8370 0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1391 1.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 1.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1822 -2.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 1.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 3.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1767 -2.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7755 -3.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 3.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3633 -4.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7645 -3.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6624 4.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3578 -4.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 0.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4981 -1.0209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5814 -1.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9643 -2.6782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9706 -0.0777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2425 0.2465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2110 -2.0072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2308 0.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9027 -0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7051 1.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 1.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5766 -3.1549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5576 -3.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1589 -3.8594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 3.8760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 2.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3811 -3.5208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 29 1 0 0 0 0 3 31 1 0 0 0 0 4 31 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 13 8 1 1 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 15 9 1 1 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 21 2 0 0 0 0 12 23 1 0 0 0 0 12 28 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 22 1 6 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 22 25 1 0 0 0 0 22 26 2 0 0 0 0 24 27 2 0 0 0 0 24 31 1 0 0 0 0 25 30 2 0 0 0 0 26 29 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 32 2 0 0 0 0 30 32 1 0 0 0 0 30 49 1 0 0 0 0 M END $$$$