B2UZ3G -OEChem-04012120172D 49 50 0 1 0 0 0 0 0999 V2000 14.3600 -4.0311 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -0.5670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0311 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 2.5311 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.2260 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 0.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 2.0311 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2764 2.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8600 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8600 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3600 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8600 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8600 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 1.4788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8137 3.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0253 3.4027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0253 0.6595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8137 0.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 2.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7523 2.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7774 0.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4676 0.5545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 1.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2523 1.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2773 0.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9676 -0.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 0.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1700 -0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7400 -2.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9800 -2.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5500 -3.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 23 1 0 0 0 0 4 22 1 0 0 0 0 7 22 2 0 0 0 0 8 19 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 20 2 0 0 0 0 17 40 1 0 0 0 0 18 21 2 0 0 0 0 18 41 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 22 1 0 0 0 0 21 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 M CHG 2 3 1 4 -1 M END $$$$