B3L7JE -OEChem-04022103173D 42 45 0 0 0 0 0 0 0999 V2000 0.7949 3.7637 -0.7617 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6943 -2.0186 -1.2294 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6342 -0.9257 0.4354 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3952 -0.4102 1.9134 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 1.2853 -0.2813 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4795 0.7071 -0.1374 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8756 1.4769 -0.4877 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3161 2.7223 -0.6807 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.4881 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8906 0.8468 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4771 2.9927 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 0.6303 -0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0193 2.5824 -0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0364 -0.7874 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1737 -0.2998 -0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8638 1.3946 0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4299 -0.8987 -0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4031 -0.3510 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1201 0.7958 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7806 -1.2639 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4194 -1.6843 -0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9079 -2.6374 1.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5468 -3.0579 -0.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2909 -3.5345 0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6452 -2.5141 -2.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5709 -0.3026 1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4279 3.4692 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2586 3.1846 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3883 -0.6812 -1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6661 2.2747 1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8246 1.2734 1.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -1.3353 -1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4846 -3.0236 2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 -3.7563 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3902 -4.6040 0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8609 -0.9270 2.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0282 -3.4081 -2.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7779 -2.8302 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3787 -1.7985 -2.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2285 -0.3276 2.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8229 0.7102 0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4938 -0.8902 1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 17 1 0 0 0 0 2 25 1 0 0 0 0 3 18 1 0 0 0 0 3 26 1 0 0 0 0 4 20 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 14 20 1 0 0 0 0 14 21 2 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 31 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 32 1 0 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 23 24 2 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$