BRW0A1 -OEChem-04012120172D 55 58 0 0 0 0 0 0 0999 V2000 11.2619 -1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.8603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7619 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7619 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2619 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6793 -0.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3695 -0.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8445 0.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 0.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 1.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 1.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 -1.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 -1.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 0.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 0.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -0.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4519 -3.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4519 -0.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0719 -3.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0719 -0.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4519 -3.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4519 -0.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0719 -3.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0719 -0.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8819 -1.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 8 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 23 2 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 18 20 2 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 24 1 0 0 0 0 22 47 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 30 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 M END $$$$