B13RKT -OEChem-04022118123D 36 38 0 1 0 0 0 0 0999 V2000 -4.6604 -1.8020 0.3686 S 0 5 0 0 0 0 0 0 0 0 0 0 2.3340 -0.3211 -1.0271 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3859 2.1606 1.3866 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6061 2.3079 -0.1775 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1929 -2.3876 -0.6511 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -0.2555 -0.1775 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2681 -1.9080 0.1821 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5614 1.5792 -0.3857 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8511 0.7296 -0.1055 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4214 3.0054 -0.5142 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3383 0.4932 -0.3780 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9589 0.9531 0.9295 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4179 1.0926 0.5474 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6159 -0.0830 -0.4028 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0468 -1.3571 0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1745 0.2694 -0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0225 -1.5760 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0497 -0.7849 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7034 -3.2679 0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4139 -0.5476 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9142 1.6997 -0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 1.3382 -1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8438 0.1902 1.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0936 1.1068 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3197 0.1479 -1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3058 -1.6900 1.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0065 -1.2197 0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8585 -2.2540 0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4411 1.9962 1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5395 2.3423 -0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8313 -3.9271 0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2259 -3.3192 1.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3332 -3.6176 -0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3347 -2.4981 -1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7796 3.7678 -0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4195 3.1600 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 29 1 0 0 0 0 4 13 1 0 0 0 0 4 30 1 0 0 0 0 5 15 1 0 0 0 0 5 34 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 6 17 2 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 21 2 0 0 0 0 9 20 2 0 0 0 0 9 21 1 0 0 0 0 10 21 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 M CHG 2 1 -1 6 1 M END $$$$