B8D2CM -OEChem-04012115413D 28 29 0 0 0 0 0 0 0999 V2000 -4.1230 -2.0575 0.0202 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0248 0.8592 0.6401 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0841 1.4340 -1.3312 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2622 2.7266 0.1141 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2718 1.6009 0.1586 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1406 -0.1853 0.4947 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4422 -2.1555 -0.3295 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5427 0.7626 -1.1234 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3253 -1.3890 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7599 -0.0753 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 -1.4430 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 0.8670 0.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 -1.7432 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0632 -0.8839 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 -0.0760 -1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8221 -0.8381 0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 1.7736 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8791 -0.0316 1.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3052 0.8547 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4326 1.4846 1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8686 0.4319 1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4384 -3.1033 -0.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -2.7343 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9685 -0.0326 -2.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5081 -1.4860 1.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 1.3442 -1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 -0.0015 2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4293 2.0382 -2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 10 2 0 0 0 0 3 17 1 0 0 0 0 3 28 1 0 0 0 0 4 17 2 0 0 0 0 5 19 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 22 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$