B4ZFI3 -OEChem-04022106153D 29 29 0 1 0 0 0 0 0999 V2000 3.9014 -1.4312 0.6243 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4121 1.5423 1.4416 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6799 0.4067 -0.5723 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2627 -0.9028 -0.1161 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0183 -1.3737 -0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3979 -1.9226 -0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2563 -0.7094 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 -1.2875 0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6773 0.4820 -1.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7169 1.5161 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1896 -0.6743 1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 1.0954 -0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6105 0.5171 0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2114 2.7419 -0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0108 -0.8438 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1477 -1.2082 -1.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1071 -2.4586 -0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0874 -2.9046 0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6674 -2.0341 -1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9609 0.5027 -1.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6938 -2.2142 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0979 0.9424 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7781 -1.1241 1.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1821 2.0231 -1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6415 -2.4937 0.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5269 0.9948 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6538 2.8836 -1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0691 3.6231 0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2755 2.6291 -0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 25 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 12 2 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 M END $$$$