BB8H9Y -OEChem-04012112493D 59 60 0 1 0 0 0 0 0999 V2000 3.4339 -2.9915 -0.7573 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5252 1.3105 -1.2855 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6387 2.9690 0.3035 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 -1.4411 2.0164 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0278 -3.1290 -2.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6448 -3.6347 -0.2846 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0885 -0.5978 0.4026 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -3.4320 0.2543 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0282 -1.9309 -0.5946 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3631 0.3617 -0.8987 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2788 3.8320 -0.2861 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 3.2742 1.4158 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3454 0.6796 1.0192 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5302 0.6157 1.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8605 0.2931 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5138 1.7895 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8209 -2.7926 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7477 -1.5602 0.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 1.3224 0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2693 -1.0345 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5952 -1.2667 -0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9044 1.0241 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 -1.3327 0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3134 -0.3034 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 -0.8406 0.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8807 -0.3320 -1.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6989 2.2892 -2.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8478 1.4550 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5624 0.5202 0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 1.0288 -0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5923 -0.6147 -0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6885 1.5961 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9795 2.8735 0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5549 0.9427 1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3262 -0.1282 2.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6217 1.5740 2.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5646 -0.8018 -0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0467 -3.4908 0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6304 -2.5660 -0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 2.3613 0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -1.8453 1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3351 -3.8378 1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5171 1.8497 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7647 -2.3805 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 -1.5518 1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2189 -0.6420 -1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6555 2.8037 -2.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1176 3.0183 -2.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2239 0.8179 1.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4332 1.7129 -1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2551 1.0608 -3.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4887 0.8507 -3.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8191 2.3164 -4.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9232 -2.1281 -1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5011 -2.7369 -0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2118 -0.0543 -1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3855 4.8175 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 3.6118 -1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 4.2983 1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 21 1 0 0 0 0 2 16 1 0 0 0 0 2 27 1 0 0 0 0 3 16 2 0 0 0 0 4 18 2 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 7 37 1 0 0 0 0 8 17 1 0 0 0 0 8 42 1 0 0 0 0 9 31 1 0 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 10 31 2 0 0 0 0 10 56 1 0 0 0 0 11 33 1 0 0 0 0 11 57 1 0 0 0 0 11 58 1 0 0 0 0 12 33 2 0 0 0 0 12 59 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 20 23 2 0 0 0 0 20 41 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 31 1 0 0 0 0 25 29 1 0 0 0 0 25 45 1 0 0 0 0 26 30 2 0 0 0 0 26 46 1 0 0 0 0 27 32 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END $$$$