LBET61 -OEChem-05022322313D 36 38 0 0 0 0 0 0 0999 V2000 1.8364 -2.7117 0.6609 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3129 1.2286 0.5913 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0897 -0.1649 0.4362 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2376 1.8462 -0.0893 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3237 -0.7393 -0.1009 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3534 1.2874 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2001 0.0643 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1501 1.8867 0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0686 1.2329 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1703 3.2582 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8847 -1.0705 -1.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3069 0.0548 0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1123 -1.0572 0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0997 -1.8818 -0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 3.9246 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6763 -2.2144 -0.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0985 -1.0894 0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7831 -2.2240 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1787 3.1796 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4683 -3.0476 0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5096 -1.7627 -0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9464 1.3665 -1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9584 2.1855 -0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -0.5274 0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 3.8216 0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0228 -1.0766 -1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5619 0.9315 1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0205 4.9935 -0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4301 -3.0983 -1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 -1.0971 1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1276 3.6520 -0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3991 -3.1150 0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8704 -4.0492 0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5834 -1.8081 -1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9346 -0.8104 -0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1216 -2.5674 -0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 20 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 9 1 0 0 0 0 4 19 2 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 15 2 0 0 0 0 10 25 1 0 0 0 0 11 16 1 0 0 0 0 11 26 1 0 0 0 0 12 17 2 0 0 0 0 12 27 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 32 1 0 0 0 0 19 31 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END $$$$