D0XQ0Q -OEChem-04152109152D 56 59 0 1 0 0 0 0 0999 V2000 8.5991 -0.2327 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5904 -1.8626 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1791 1.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4063 0.7768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.2673 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4651 3.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3296 -2.8280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5558 -2.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6250 -1.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1791 -0.4454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2673 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4734 0.2631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4734 1.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1455 -0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8512 -0.8972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8176 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5233 -1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0784 0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4897 -1.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0449 0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7505 -0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6834 -0.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2344 -0.3090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 0.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 -0.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0174 -1.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 2.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 2.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2520 -1.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3616 -1.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6409 0.7644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7671 -3.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9272 -1.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2066 1.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3497 0.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 23 1 0 0 0 0 3 17 2 0 0 0 0 4 22 2 0 0 0 0 5 24 1 0 0 0 0 6 24 2 0 0 0 0 7 51 1 0 0 0 0 10 36 2 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 16 12 1 1 0 0 0 12 22 1 0 0 0 0 12 41 1 0 0 0 0 13 21 1 0 0 0 0 13 26 2 0 0 0 0 13 27 1 0 0 0 0 14 36 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 6 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 23 22 1 1 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 45 1 0 0 0 0 27 31 2 0 0 0 0 27 46 1 0 0 0 0 28 33 1 0 0 0 0 28 47 1 0 0 0 0 29 34 2 0 0 0 0 29 48 1 0 0 0 0 30 32 2 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 32 36 1 0 0 0 0 33 35 2 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 M CHG 2 5 -1 13 1 M END $$$$