DR00706 -OEChem-04261904252D 45 46 0 1 0 0 0 0 0999 V2000 6.8671 -0.8240 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.6760 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.4470 1.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6760 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7331 2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6743 0.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8614 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8919 -2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.6760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 -1.0367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 -2.4538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.6760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7414 -0.3281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7414 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4135 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1191 -1.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0856 -1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4459 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4444 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7012 -1.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6311 -3.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9514 -1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5023 -0.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2853 -1.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1093 0.2219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8356 0.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2796 -1.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0325 -3.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4694 -4.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2296 -3.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 3 17 2 0 0 0 0 4 21 1 0 0 0 0 4 26 1 0 0 0 0 5 22 1 0 0 0 0 6 22 2 0 0 0 0 7 23 2 0 0 0 0 8 25 1 0 0 0 0 8 29 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 10 26 2 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 16 12 1 1 0 0 0 12 23 1 0 0 0 0 12 35 1 0 0 0 0 13 24 2 0 0 0 0 14 26 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 6 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 27 28 1 0 0 0 0 27 38 1 0 0 0 0 28 29 2 0 0 0 0 28 39 1 0 0 0 0 29 40 1 0 0 0 0 30 43 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 M CHG 2 2 1 5 -1 M END $$$$