BS3IT1 -OEChem-04022104482D 55 58 0 0 0 0 0 0 0999 V2000 7.2641 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3725 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8718 -2.8691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -5.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.8692 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5320 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -1.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7841 3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3856 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -2.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 0.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 -0.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 -4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 5.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 5.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -5.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -3.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 6.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 -6.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 4 35 1 0 0 0 0 4 55 1 0 0 0 0 5 35 2 0 0 0 0 6 14 1 0 0 0 0 6 22 1 0 0 0 0 6 41 1 0 0 0 0 7 16 1 0 0 0 0 7 24 1 0 0 0 0 7 43 1 0 0 0 0 8 14 2 0 0 0 0 8 19 1 0 0 0 0 9 15 1 0 0 0 0 9 19 2 0 0 0 0 10 19 1 0 0 0 0 10 24 1 0 0 0 0 10 45 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 15 20 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 25 2 0 0 0 0 17 26 1 0 0 0 0 18 21 2 0 0 0 0 18 40 1 0 0 0 0 20 23 2 0 0 0 0 20 42 1 0 0 0 0 21 23 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 44 1 0 0 0 0 25 29 1 0 0 0 0 25 46 1 0 0 0 0 26 30 2 0 0 0 0 26 47 1 0 0 0 0 27 32 1 0 0 0 0 27 48 1 0 0 0 0 28 33 2 0 0 0 0 28 49 1 0 0 0 0 29 34 2 0 0 0 0 29 50 1 0 0 0 0 30 34 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 31 35 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 M CHG 2 2 -1 11 1 M END $$$$