B1QXG5 -OEChem-04012113193D 48 48 0 1 0 0 0 0 0999 V2000 0.7679 1.2677 1.3486 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7368 -2.6586 -0.8699 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8686 -3.8317 0.8679 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7724 2.8139 0.7694 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8092 1.8718 0.4496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 -0.4340 -0.2258 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6113 2.8287 -1.1138 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7997 -0.6158 -0.3484 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7209 0.7286 0.0977 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0331 -1.4148 -0.5873 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 1.8657 0.4585 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3219 -1.4678 0.6360 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2058 -1.5621 0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7743 -1.8894 -0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5997 1.7777 -0.8693 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9226 2.4026 -0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0194 0.8711 0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2987 -1.9245 -0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9929 -2.7758 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9971 1.3732 -0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1155 0.8226 1.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8431 0.9991 -1.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 -0.1280 1.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8348 0.0483 -0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9669 -0.5152 0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0842 -0.4535 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -1.2393 1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6159 -0.6090 0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5378 -2.3322 1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4442 -1.1366 -1.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4012 -2.8605 -1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7588 1.2228 -1.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 -0.6726 -1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2845 3.1161 -1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7727 2.9961 0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6573 -2.1653 -1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -2.7086 -0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2793 2.4119 -1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 3.3580 -0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4606 1.1219 1.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7462 1.4306 -2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2116 -0.5654 2.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5037 -0.2538 -1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1568 -3.5088 -1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7392 -1.2553 0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7380 0.7094 0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0249 -1.2149 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7808 -2.3493 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 19 1 0 0 0 0 2 44 1 0 0 0 0 3 19 2 0 0 0 0 4 11 1 0 0 0 0 5 11 2 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 6 33 1 0 0 0 0 7 15 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 18 1 0 0 0 0 8 26 2 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 46 1 0 0 0 0 10 26 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 45 1 0 0 0 0 M CHG 2 4 -1 11 1 M END $$$$