EXO2778 -OEChem-04222009552D 49 52 0 1 0 0 0 0 0999 V2000 8.5991 -1.2307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.5935 -2.2693 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1791 0.9820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.2693 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4651 2.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4063 -0.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1791 -1.4434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2693 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.7307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4734 -0.7349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4734 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1455 -1.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8512 -1.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8176 -1.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1779 -0.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1764 -0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4333 -1.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6834 -1.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2344 -1.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 -1.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0174 -2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 1.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 1.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3426 -2.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1120 -2.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8413 -0.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5676 -0.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0116 -1.9497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.1107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 24 1 0 0 0 0 2 31 1 0 0 0 0 3 14 2 0 0 0 0 4 19 1 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 30 2 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 13 9 1 1 0 0 0 9 20 1 0 0 0 0 9 36 1 0 0 0 0 10 18 1 0 0 0 0 10 22 2 0 0 0 0 10 23 1 0 0 0 0 11 30 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 6 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 23 26 2 0 0 0 0 23 42 1 0 0 0 0 24 28 2 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 31 2 0 0 0 0 29 46 1 0 0 0 0 31 47 1 0 0 0 0 M CHG 2 4 -1 10 1 M END $$$$