B5PEB0 -OEChem-04022110583D 40 44 0 0 0 0 0 0 0999 V2000 -0.7064 2.7971 0.3334 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1026 -1.1170 1.6521 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6988 -2.1385 -0.4477 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9849 2.7562 0.4329 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5427 -1.5617 1.3345 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1539 0.2681 -0.6859 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1725 -0.0438 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9144 0.7180 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5149 0.7971 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7519 0.0926 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1730 -0.8902 0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0074 -0.1673 0.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 2.1358 0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5134 -1.4735 -0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5203 -0.6400 -1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7068 -1.3665 -1.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 2.1543 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7393 0.1735 -0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6864 2.8685 0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9301 0.8952 -0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0667 -1.9082 0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9033 2.2401 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7304 -0.2996 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0219 -0.9981 0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8524 -1.2076 -0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9541 -1.9475 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7183 -2.1372 0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -0.9579 -0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7562 0.2796 1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8756 -0.5402 -2.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9793 -1.8266 -2.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7715 -0.8736 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6633 3.9141 0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0330 -1.3914 0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1736 -2.8768 1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8269 2.8049 0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2762 -0.2863 1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6895 -0.8720 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -2.2986 -0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2607 -2.6334 1.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 11 1 0 0 0 0 2 21 1 0 0 0 0 3 14 1 0 0 0 0 3 21 1 0 0 0 0 4 17 2 0 0 0 0 5 24 1 0 0 0 0 5 27 1 0 0 0 0 6 20 1 0 0 0 0 6 23 2 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 18 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 29 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 27 2 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$