D08DXA -OEChem-10101305022D 42 44 0 0 0 0 0 0 0999 V2000 8.1962 1.8760 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 1.8827 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.6660 -1.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 2.3793 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6995 1.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6928 2.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 -1.1827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 2.8864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 1.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 -1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 -2.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 -3.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 -1.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 -2.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 0.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -1.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.8028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 3.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9478 3.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7226 -2.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1535 -0.5828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 -3.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 -1.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5283 -3.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 14 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 8 31 1 0 0 0 0 9 13 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 19 2 0 0 0 0 13 14 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 2 0 0 0 0 16 18 1 0 0 0 0 16 21 2 0 0 0 0 19 30 1 0 0 0 0 20 23 1 0 0 0 0 20 32 1 0 0 0 0 21 24 1 0 0 0 0 21 33 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 27 1 0 0 0 0 25 38 1 0 0 0 0 26 28 2 0 0 0 0 26 39 1 0 0 0 0 27 29 2 0 0 0 0 27 40 1 0 0 0 0 28 29 1 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 M CHG 2 2 1 5 -1 M END $$$$