D00SWQ -OEChem-10101305022D 44 46 0 1 0 0 0 0 0999 V2000 8.1097 3.2088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 5.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 3.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 4.8180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6156 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 3.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3007 4.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 3.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2406 2.7668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 3.6982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 3.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 5.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 3 11 2 0 0 0 0 4 15 2 0 0 0 0 5 22 2 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 32 1 0 0 0 0 7 21 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 13 17 2 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 22 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 25 2 0 0 0 0 20 26 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$