E02QDK -OEChem-05272104372D 41 41 0 0 0 0 0 0 0999 V2000 4.5981 1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.7742 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.5923 1.7808 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0981 2.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 2.2775 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.3636 0.9101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3569 2.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0785 -1.2846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6118 -1.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 -1.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 19 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 22 1 0 0 0 0 5 18 1 0 0 0 0 5 36 1 0 0 0 0 12 17 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 23 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 17 24 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 24 2 0 0 0 0 24 33 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 37 1 0 0 0 0 27 29 2 0 0 0 0 27 38 1 0 0 0 0 28 30 2 0 0 0 0 28 39 1 0 0 0 0 29 30 1 0 0 0 0 29 40 1 0 0 0 0 30 41 1 0 0 0 0 M CHG 4 3 1 4 1 6 -1 9 -1 M END $$$$