BRS41A -OEChem-04012113573D 58 60 0 1 0 0 0 0 0999 V2000 3.4774 -0.0096 1.8686 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0783 -4.5640 0.4164 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7649 4.2568 0.1697 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4978 2.8280 0.5187 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7671 -2.6267 0.1292 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0466 1.4707 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9226 2.6035 0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2033 2.1512 -1.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5176 2.7570 -0.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6378 1.4309 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 -2.3215 -0.3861 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8629 0.2872 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 -1.1718 0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 0.1773 0.4567 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6972 -1.0020 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -3.6445 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 -4.6919 -0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -3.9965 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7522 -1.6023 0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4742 -1.1165 -0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4825 -0.0305 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7909 -0.3790 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0829 1.2961 -0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7231 0.6244 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0149 2.2996 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3351 1.9637 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3071 3.0104 0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5575 0.4990 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3697 3.4877 0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6303 2.3087 1.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4422 2.9042 -1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3098 1.4766 -2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3986 2.1300 -0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7349 3.7797 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6769 1.2737 1.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1172 2.3820 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4401 -2.1005 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8473 0.4252 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3963 -0.6522 0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 -0.2367 0.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2685 -1.3372 1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8768 1.1040 0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2663 -1.9149 0.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6848 -0.8651 -1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7062 -3.7330 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -3.7800 -0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -5.5990 0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0549 -4.9386 -1.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4913 -2.0383 1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2798 -0.7781 0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9724 -1.9600 -1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7445 -0.7474 -1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6314 0.8587 2.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1014 -1.4194 -0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0562 1.5665 -0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7467 0.3419 0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6699 3.3291 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4281 4.9551 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 53 1 0 0 0 0 2 18 2 0 0 0 0 3 27 1 0 0 0 0 3 58 1 0 0 0 0 4 27 2 0 0 0 0 5 11 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 23 25 2 0 0 0 0 23 55 1 0 0 0 0 24 26 2 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$