E01OUP -OEChem-05082103112D 46 46 0 0 0 0 0 0 0999 V2000 4.5981 -3.4441 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 4.0800 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 4.0867 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9441 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4441 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5981 -3.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 4.5834 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4976 3.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4909 4.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 4.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 2.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 4.7105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 1.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 2.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -1.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 21 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 19 1 0 0 0 0 5 28 1 0 0 0 0 5 32 1 0 0 0 0 6 26 1 0 0 0 0 6 43 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 17 26 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 27 2 0 0 0 0 20 31 1 0 0 0 0 21 29 2 0 0 0 0 22 25 2 0 0 0 0 22 34 1 0 0 0 0 23 30 2 0 0 0 0 23 35 1 0 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 36 1 0 0 0 0 26 30 1 0 0 0 0 27 37 1 0 0 0 0 28 29 1 0 0 0 0 29 38 1 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 31 41 1 0 0 0 0 31 42 1 0 0 0 0 32 44 1 0 0 0 0 32 45 1 0 0 0 0 32 46 1 0 0 0 0 M CHG 4 3 1 4 1 7 -1 10 -1 M END $$$$