B86SXE -OEChem-04022105492D 44 47 0 1 0 0 0 0 0999 V2000 7.6651 1.6916 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 0.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.7443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.3538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 2.0477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 1.0162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 1.8242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.2062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.5135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 1.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3724 3.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 2.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1824 3.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0952 3.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.2358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.5491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4517 1.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 3.5258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1186 4.4758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5974 3.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6131 2.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1746 1.4310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 11 3 1 6 0 0 0 3 33 1 0 0 0 0 12 4 1 6 0 0 0 4 34 1 0 0 0 0 13 5 1 1 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 6 18 1 0 0 0 0 7 16 2 0 0 0 0 7 21 1 0 0 0 0 8 19 1 0 0 0 0 8 21 2 0 0 0 0 9 19 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 24 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 1 0 0 0 14 30 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 35 1 0 0 0 0 18 19 2 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$