B36KRQ -OEChem-04022108212D 37 39 0 1 0 0 0 0 0999 V2000 9.2740 2.7846 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 0.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 -2.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.2846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.7846 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5298 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5298 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5836 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5836 -1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3798 1.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 -2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1719 0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2778 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1799 1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7183 -1.3369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -0.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 -0.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 -2.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 -1.8627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8393 1.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7758 -2.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 -3.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0158 -2.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7052 -0.0940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7180 1.5718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 5 20 2 0 0 0 0 6 14 1 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 2 0 0 0 0 9 15 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 17 21 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 21 22 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$