EXO0893 -OEChem-04222009463D 28 31 0 0 0 0 0 0 0999 V2000 -4.6369 -0.1102 -0.0009 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3922 -1.9184 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5186 -0.6729 -0.0003 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0676 0.4410 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3759 -0.1034 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0557 -0.4185 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1145 1.8436 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 -1.5059 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 0.7562 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3441 0.1357 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8559 -1.8056 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 -2.3420 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0102 2.6796 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2993 2.1433 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 2.3669 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8592 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 0.2020 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5214 1.5182 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9648 -1.1805 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5754 -2.6049 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5537 -3.4239 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8947 3.7617 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1483 2.8241 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5793 3.4426 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0237 -3.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6663 0.8435 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5044 1.9826 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 -1.5978 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 12 1 0 0 0 0 8 16 2 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 15 18 2 0 0 0 0 15 24 1 0 0 0 0 16 19 1 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M CHG 2 1 -1 3 1 M END $$$$