B8XKP6 -OEChem-04042102373D 33 35 0 0 0 0 0 0 0999 V2000 -3.8183 -1.1049 0.9155 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5881 -0.9838 -0.3574 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8933 0.3344 0.2018 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 1.1401 0.5675 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 -0.8143 -0.2988 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9135 0.9128 -0.2726 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2876 0.8190 0.4395 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3639 -0.3555 -0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8091 -0.0772 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4794 0.5739 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 -0.8501 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 -1.6022 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5646 0.9351 -0.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4934 -1.8348 -0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9857 0.4050 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1611 -0.1193 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0683 2.0241 -1.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4990 -0.4702 1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4834 0.1325 0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7083 0.9354 0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7693 1.5278 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -2.3510 -1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8662 -2.7636 -1.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3926 1.6390 -2.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8968 2.5273 -1.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5332 2.7733 -0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2484 0.2481 0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5082 -0.4568 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8066 -1.4640 0.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3694 1.7451 0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6739 1.2116 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7471 1.8402 -0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6082 0.3414 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 19 2 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 15 2 0 0 0 0 5 11 2 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 16 2 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 17 1 0 0 0 0 14 23 1 0 0 0 0 16 18 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$