BJRK25 -OEChem-04022111383D 49 51 0 1 0 0 0 0 0999 V2000 3.4541 0.0407 -1.5504 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4082 0.1934 0.6688 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3969 -0.4943 -2.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2164 0.6506 -2.0148 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7959 1.5105 -1.6641 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3290 2.3171 0.3866 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 1.2948 2.1438 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9420 1.4095 0.0841 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0553 -0.6671 -0.8332 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2725 1.1571 -0.5494 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0306 -1.2295 -0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0616 -1.0226 0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4882 0.7462 0.1676 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6757 -2.4626 -0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 0.2150 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0545 0.1996 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7377 -2.0487 1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1588 0.2243 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3517 -3.4890 0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 0.9309 1.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9298 -0.5087 -0.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7358 0.9233 1.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5425 -0.5165 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3827 -3.2819 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8957 1.3374 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8091 -0.8796 -0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6254 1.6061 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2302 0.8733 1.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9328 0.2427 -0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2827 1.3466 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1961 -0.8705 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3788 0.2521 -0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8054 2.0205 -0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7532 -0.2970 -0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4363 -2.6533 -1.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -1.9011 2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8547 -4.4489 0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 1.4836 2.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3472 -1.0532 -1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 1.4771 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0475 -1.0732 -1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1325 -4.0800 2.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4298 2.2313 0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2808 -1.7801 -0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 0.5417 2.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8173 2.2361 0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6851 -1.7429 -1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5362 2.0715 -1.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9171 1.4053 -0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 5 27 1 0 0 0 0 5 48 1 0 0 0 0 6 27 2 0 0 0 0 7 28 2 0 0 0 0 8 32 1 0 0 0 0 8 49 1 0 0 0 0 9 32 2 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 17 2 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 34 1 0 0 0 0 14 19 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 17 36 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 24 2 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 30 1 0 0 0 0 25 43 1 0 0 0 0 26 31 2 0 0 0 0 26 44 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 M END $$$$