B8XP6V -OEChem-04012118022D 29 29 0 1 0 0 0 0 0999 V2000 2.4608 0.0683 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2650 1.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3139 0.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9592 0.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8492 -0.6519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3034 -1.2908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8034 0.2480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8002 -0.3429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5434 -1.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4944 -0.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0081 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 0.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1124 -0.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6713 -0.9494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0548 -1.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8344 -1.5595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7202 -1.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6664 -0.6735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 -0.8392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3034 -1.9108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4390 0.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 0.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1207 0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7021 -0.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3939 1.9108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 29 1 0 0 0 0 2 12 1 0 0 0 0 2 28 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 8 5 1 6 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 23 1 0 0 0 0 7 14 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$