B3TS8R -OEChem-04012114313D 40 43 0 1 0 0 0 0 0999 V2000 5.4545 0.2928 -0.3087 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8609 3.0278 0.1922 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -2.3074 -1.0578 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1456 -1.2737 0.1297 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5735 -0.7597 0.0521 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2144 -2.8133 -0.3029 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3265 -1.9901 -0.3269 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3337 1.6046 0.1412 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6579 1.9430 -0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -2.4666 0.0617 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6240 -0.1181 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6899 0.3601 0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 -2.0576 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4799 -3.3654 1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 -0.7588 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 -1.3513 -0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3292 -0.2021 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.3783 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3397 0.8154 -1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1739 -0.1283 0.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1946 1.9067 -1.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0288 0.9631 0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4401 2.4365 0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0390 1.9806 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2662 3.8836 0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 -3.0397 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -0.4519 1.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3336 0.7109 0.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5262 0.8426 -0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1568 1.0626 0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 -2.8570 2.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1272 -4.2744 1.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5295 -3.6657 1.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6849 0.7680 -2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1732 -0.9155 1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2029 2.6992 -1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6865 1.0210 1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 4.1332 0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6059 4.4466 -0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 4.2184 1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 24 1 0 0 0 0 3 16 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 13 2 0 0 0 0 7 15 2 0 0 0 0 8 18 2 0 0 0 0 8 23 1 0 0 0 0 9 23 2 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$