D01WDS -OEChem-10101305022D 49 52 0 0 0 0 0 0 0999 V2000 8.0622 1.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 2.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 1.5635 0.0000 C 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 4.3426 -0.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.6253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.6253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4131 -0.6120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4131 2.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8620 0.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8620 1.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 2 38 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 3 43 1 0 0 0 0 4 21 1 0 0 0 0 4 22 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 13 15 2 0 0 0 0 13 40 1 0 0 0 0 14 16 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 44 1 0 0 0 0 21 24 2 0 0 0 0 22 45 1 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 M END $$$$