B49DVK -OEChem-04012114172D 39 42 0 0 0 0 0 0 0999 V2000 6.9473 -0.2803 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0850 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.7810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2012 2.7606 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.2193 1.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -1.0850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -1.8898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1186 -0.2760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3058 1.7661 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6877 -2.7606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -1.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0697 -0.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8787 0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1186 -1.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0697 -1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7742 0.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7923 -0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5832 1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6013 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4968 1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8787 -2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9271 -2.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2078 1.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8571 -1.0206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5184 2.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1677 -0.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 8 14 1 0 0 0 0 8 16 2 0 0 0 0 9 18 2 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 28 1 0 0 0 0 12 29 3 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 24 34 1 0 0 0 0 25 27 2 0 0 0 0 25 35 1 0 0 0 0 26 28 2 0 0 0 0 26 36 1 0 0 0 0 27 28 1 0 0 0 0 27 37 1 0 0 0 0 M CHG 2 5 -1 11 1 M END $$$$