D0A2MP -OEChem-10101305032D 54 54 0 1 0 0 0 0 0999 V2000 7.1962 -1.9050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5263 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -0.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 1 45 1 0 0 0 0 2 14 2 0 0 0 0 3 16 2 0 0 0 0 4 25 1 0 0 0 0 4 54 1 0 0 0 0 5 25 2 0 0 0 0 9 6 1 1 0 0 0 6 14 1 0 0 0 0 6 37 1 0 0 0 0 7 16 1 0 0 0 0 18 7 1 6 0 0 0 7 40 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 12 15 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 15 19 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 21 24 2 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 26 53 1 0 0 0 0 M END $$$$