B7JD5C -OEChem-04022110553D 29 30 0 0 0 0 0 0 0999 V2000 -4.2231 1.2303 0.6745 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8526 -2.2627 -0.1669 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -2.6038 -0.1265 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6767 3.3469 0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 2.2256 0.0615 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 1.2153 -0.0355 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5183 0.1110 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0262 -1.1840 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 0.3697 -0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3533 -1.3566 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 -0.2449 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 1.0080 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8601 -0.0022 -1.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5398 1.0463 0.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1422 0.4040 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 2.2045 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 -2.8180 1.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3229 -2.6893 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 -0.3031 -0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6088 -0.5388 -2.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 1.4445 1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0352 0.2554 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9525 -3.6484 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8038 -2.0742 1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4115 -3.2026 1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5821 -3.7528 -0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7351 -2.2875 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7705 -2.2287 -0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2422 4.1478 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 10 1 0 0 0 0 3 18 1 0 0 0 0 4 16 1 0 0 0 0 4 29 1 0 0 0 0 5 16 2 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$