Marvin 12090814482D 26 27 0 0 0 0 999 V2000 -4.3974 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1119 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1119 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3974 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6829 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6829 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9883 0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9883 0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9684 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5395 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8465 -1.2111 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0395 -1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 1.0800 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9684 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4084 -0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 2.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 11 18 1 0 0 0 0 18 12 1 0 0 0 0 7 12 1 1 0 0 0 7 20 1 0 0 0 0 7 13 1 0 0 0 0 22 20 1 0 0 0 0 22 14 1 0 0 0 0 13 22 1 0 0 0 0 21 13 1 0 0 0 0 21 9 1 0 0 0 0 14 9 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 0 0 0 0 11 23 1 1 0 0 0 14 16 1 6 0 0 0 16 15 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 13 24 1 6 0 0 0 20 25 2 0 0 0 0 M CHG 2 15 -1 26 1 M END