BU0WI5 -OEChem-04022108142D 58 61 0 1 0 0 0 0 0999 V2000 4.6783 -0.9955 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8779 2.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4255 0.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0802 3.7817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -3.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.0682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.9342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.6663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.8003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.6050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0983 2.3805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7619 0.7978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9643 1.8805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3551 1.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7564 0.9023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9938 3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -2.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -3.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -4.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6183 2.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1427 0.8303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9968 2.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9907 2.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8182 1.4014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 0.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6122 3.3318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1438 3.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6419 -0.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9427 2.9038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0320 0.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 4.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -3.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -1.2633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 -2.8784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 -3.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -2.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -2.0557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 -3.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 -4.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2249 -4.7084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0719 -4.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2988 -4.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 13 2 1 1 0 0 0 2 41 1 0 0 0 0 15 3 1 1 0 0 0 3 42 1 0 0 0 0 4 16 1 0 0 0 0 4 43 1 0 0 0 0 5 28 1 0 0 0 0 5 31 1 0 0 0 0 12 6 1 6 0 0 0 6 17 1 0 0 0 0 6 40 1 0 0 0 0 7 17 2 0 0 0 0 7 21 1 0 0 0 0 8 19 1 0 0 0 0 8 21 2 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 45 1 0 0 0 0 10 20 2 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 6 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 44 1 0 0 0 0 22 25 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 25 28 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 29 1 0 0 0 0 26 50 1 0 0 0 0 27 30 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END $$$$