B3ZYH7 -OEChem-04042103033D 28 29 0 0 0 0 0 0 0999 V2000 0.9000 2.1871 -0.1364 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6076 3.4251 0.5763 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3895 2.2647 -1.5073 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 1.2679 0.8179 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9966 -1.8182 -0.0448 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5442 1.2062 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1974 -0.1162 0.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 1.3918 0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7445 0.2375 -1.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6779 -0.4550 -0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -1.1000 1.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6524 0.6088 0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8988 -0.5455 -1.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8527 -0.3599 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 -1.7975 -1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0959 -2.4424 1.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5778 -2.7912 -0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -1.1634 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9988 1.4689 1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3598 2.1349 1.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 0.0798 -1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9409 0.2990 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5273 -0.8385 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 0.7639 1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 -1.2956 -1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2502 -2.0689 -2.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8689 -3.2162 1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7277 -3.8364 -0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 4 7 1 0 0 0 0 4 19 1 0 0 0 0 5 18 3 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 9 13 2 0 0 0 0 9 21 1 0 0 0 0 10 15 1 0 0 0 0 10 22 1 0 0 0 0 11 16 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$