B8SH4W -OEChem-04022109022D 59 62 0 0 0 0 0 0 0999 V2000 13.3263 1.2908 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 2.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9904 2.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8229 2.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8296 0.4229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.2775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 1.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1942 0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 -0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1230 2.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3259 2.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1975 0.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9946 0.8108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8646 0.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 3.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4559 2.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8863 0.2561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7323 0.4863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5021 1.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 35 1 0 0 0 0 2 17 1 0 0 0 0 2 49 1 0 0 0 0 3 15 2 0 0 0 0 4 22 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 19 1 0 0 0 0 8 21 2 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 48 1 0 0 0 0 10 28 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 19 2 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 18 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 16 38 1 0 0 0 0 17 21 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 39 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 23 28 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 29 1 0 0 0 0 24 42 1 0 0 0 0 25 30 2 0 0 0 0 25 43 1 0 0 0 0 26 31 1 0 0 0 0 26 44 1 0 0 0 0 27 32 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 33 2 0 0 0 0 29 50 1 0 0 0 0 30 33 1 0 0 0 0 30 51 1 0 0 0 0 31 34 2 0 0 0 0 31 53 1 0 0 0 0 32 34 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 M END $$$$