B3SOV2 -OEChem-04012113242D 62 64 0 1 0 0 0 0 0999 V2000 3.4037 -1.5945 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 -3.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 -1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -1.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -2.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9003 -0.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6678 -1.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 -2.0911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6678 -0.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8018 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8018 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9357 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9357 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0418 -2.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0418 -0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 -1.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 -0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2659 -4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8998 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8998 -2.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2659 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1319 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2659 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9979 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1319 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9979 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2047 -0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2003 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 -2.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2003 -2.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 -2.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 0.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -0.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9969 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6119 0.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0104 1.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9559 -4.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8028 -4.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5759 -3.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3629 -4.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5898 -4.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4368 -4.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4368 -3.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2098 -2.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3629 -2.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1878 3.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7892 2.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -2.7111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1319 1.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7289 4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5348 2.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1319 5.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5348 4.2430 0.0000 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 1 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 $$$$