B2FKA3 -OEChem-04022102503D 52 55 0 0 0 0 0 0 0999 V2000 4.3089 1.4579 -0.0592 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5177 0.5818 1.9139 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0377 0.2219 0.4011 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7801 4.6996 -0.4499 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0988 -3.2942 0.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1347 0.5542 -0.0419 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5723 -1.6213 0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2745 -0.9462 -0.0884 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3402 1.8432 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5597 1.9274 -1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4057 2.0404 1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2299 3.2300 -1.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3818 3.3432 0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 3.4244 -0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 0.4598 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6261 -0.7145 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7481 -0.9078 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5083 1.4240 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0751 -1.3585 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8232 0.9578 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1038 -0.4083 0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4264 -2.8078 0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -2.1828 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 -2.1091 -0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5727 -0.9712 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6011 -3.1778 -0.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9611 -0.9019 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 -3.1085 -0.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 -1.9706 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6884 0.3149 0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0865 2.6456 -0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2667 1.8746 -2.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 1.0995 -1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3012 1.2223 1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0063 2.0669 1.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 4.0799 -1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 3.2435 -2.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3008 4.1992 1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0759 3.4378 1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9405 2.6621 -0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2706 4.7322 -1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3025 2.4862 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3002 -0.1253 -0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6418 1.6731 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1404 -0.7288 0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0656 -3.0935 -0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5348 -3.4423 0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 -3.0139 1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0626 -0.1365 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0904 -4.0713 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 -3.9400 -1.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -1.9367 -0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 14 1 0 0 0 0 4 41 1 0 0 0 0 5 23 2 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 16 2 0 0 0 0 7 17 1 0 0 0 0 8 16 1 0 0 0 0 8 23 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$