D08VVR -OEChem-04152111332D 44 44 0 1 0 0 0 0 0999 V2000 3.1208 -3.0982 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5868 1.6861 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8983 -2.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7227 1.1828 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3433 -4.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1459 -3.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 -2.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0846 -0.3794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8509 2.6794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7111 4.1828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5829 2.6861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 -0.4682 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4339 -0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 1.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 1.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 1.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6313 -1.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0846 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 1.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8547 -0.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8547 1.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7150 3.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9704 -0.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 -0.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -0.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 0.2687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 2.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 1.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 2.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1398 2.3374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9677 -1.9639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2026 -1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0774 2.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5427 -0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3905 -0.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1668 0.1669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8888 -4.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2469 4.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 4.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1187 2.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 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 3 19 1 0 0 0 0 4 24 1 0 0 0 0 5 41 1 0 0 0 0 8 16 2 0 0 0 0 8 22 1 0 0 0 0 9 24 2 3 0 0 0 9 25 1 0 0 0 0 10 25 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 25 2 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 19 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M CHG 2 2 1 4 -1 M END $$$$