B5CXO1 -OEChem-04042106093D 32 34 0 0 0 0 0 0 0999 V2000 0.2487 2.0655 -0.5900 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1988 0.9626 0.3386 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6955 -0.2684 -0.0032 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7466 -0.1557 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7658 0.5882 -0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4174 0.4019 -0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1196 0.1360 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8435 0.6837 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9308 -1.5336 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 1.8921 -0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1271 0.1443 0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1006 1.0185 0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4534 -1.1854 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2143 -2.0731 -0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -1.2341 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4155 0.5795 0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7682 -1.6244 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7492 -0.7420 0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4823 0.3442 0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7596 1.7602 0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0909 -2.2073 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 2.7381 -0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 2.0501 0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7076 -1.8906 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3579 -3.1466 -0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 -1.7195 0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1788 1.2651 0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0286 -2.6530 -0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7727 -1.0841 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7433 -0.1592 -0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5558 -0.3239 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2171 1.1422 0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 19 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 14 2 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 12 23 1 0 0 0 0 13 17 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END $$$$