B3SOV2 -OEChem-04012113463D 62 64 0 1 0 0 0 0 0999 V2000 -4.0519 3.5194 -0.8225 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1832 1.2633 -0.3198 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7339 -1.0613 -1.3101 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3821 -0.7848 0.6788 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2977 3.3284 -2.2558 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6703 2.2524 -0.4761 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8656 4.7176 -0.9237 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 0.2171 0.4748 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0119 -3.0477 -0.1288 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7717 3.8404 0.3007 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5612 -0.9682 0.9302 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4402 -0.6281 1.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5088 1.3744 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4012 0.5367 1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 1.4915 0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0642 -1.6749 -0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6799 2.5808 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6968 0.6974 1.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 0.1549 0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9721 2.7257 0.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 1.2779 -0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 1.7852 1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 -3.9541 -1.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9716 0.0763 -1.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9424 2.5834 -1.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2979 1.2080 0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -4.7711 -0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8584 -3.9151 -0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0357 -3.4501 0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -3.5882 -1.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1405 -2.6586 1.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8907 -2.7966 -1.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0679 -2.3319 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2677 -1.6327 1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8828 -0.3526 2.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1905 -1.5061 2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0668 2.2808 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4676 1.3262 -1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2836 3.3187 -0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0992 -0.0210 2.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4777 1.8926 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3327 -3.4559 0.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3803 -4.6291 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -3.3956 -2.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0071 -0.8775 -0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 -0.0422 -2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9728 0.2099 -1.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 3.4469 -0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 2.6575 -2.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0154 2.6694 -1.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 1.8925 1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 0.2166 1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3519 1.4944 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3998 -5.3823 0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 -5.4821 -1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 4.6773 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3251 -3.7043 1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6574 -3.9424 -2.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 -2.3015 2.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6125 -2.5412 -1.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8817 3.0775 -3.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9279 -1.7153 0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 16 2 0 0 0 0 4 19 2 0 0 0 0 5 61 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 9 16 1 0 0 0 0 9 23 1 0 0 0 0 9 42 1 0 0 0 0 10 20 1 0 0 0 0 10 56 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 17 20 2 0 0 0 0 17 39 1 0 0 0 0 18 22 2 0 0 0 0 18 40 1 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 41 1 0 0 0 0 23 27 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 57 1 0 0 0 0 30 32 2 0 0 0 0 30 58 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 33 62 1 0 0 0 0 M END $$$$