B1REK7 -OEChem-04022103413D 48 49 0 0 0 0 0 0 0999 V2000 -5.0154 -3.1090 -1.2646 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4609 -2.7821 1.8175 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2887 -0.9411 -0.5641 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 1.2809 -0.3917 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2297 0.5583 0.4223 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5107 3.8634 -0.5854 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2105 2.8071 1.4553 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.7339 2.7375 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -0.6223 0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0957 1.0443 1.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 1.1034 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8733 2.1507 1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8264 2.2115 -1.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0627 -1.9434 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3683 -2.2500 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9334 -0.6255 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 4.4819 -1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4637 4.4128 0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4874 -2.2903 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4811 -2.5000 1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 0.4935 0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7193 -2.5800 -1.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7132 -2.7897 0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8323 -2.8297 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1056 0.3533 -0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5077 -1.2171 -1.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5111 1.6724 1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5565 -2.6906 -1.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1535 0.5486 2.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6301 0.6406 -1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5605 2.5144 1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6759 2.6202 -2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 -1.5559 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0378 5.3449 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6332 3.7806 -2.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3528 4.8530 -2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9896 5.2804 -0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9634 4.7578 1.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2329 3.6769 0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6279 -2.1049 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4008 -2.4694 2.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8122 -2.6128 -2.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 -2.9838 1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5459 -0.6211 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3600 -0.9574 -0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5006 -3.3000 -0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4777 -2.9373 -2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -2.9693 -2.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 14 2 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 25 2 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 27 2 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 16 2 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 20 23 2 0 0 0 0 20 41 1 0 0 0 0 21 25 1 0 0 0 0 21 27 2 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M CHG 2 5 1 7 -1 M END $$$$