LJI8D2 -OEChem-05032301343D 41 44 0 1 0 0 0 0 0999 V2000 -0.5554 2.6278 -1.4651 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9225 -0.4971 -0.6755 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0294 1.1361 -2.3581 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 1.7840 2.0916 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1659 0.3350 0.5386 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -0.6753 -0.6138 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 0.6090 0.8523 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1755 1.7265 -0.0106 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6832 1.4139 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 -0.5389 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6939 -0.0763 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6077 1.7756 -1.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2952 -1.8858 0.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -0.9456 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3401 -2.7712 0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5536 -2.3047 0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8923 0.9547 1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 0.5819 0.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4678 -0.6747 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7628 -1.0212 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3054 1.4852 0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7961 -0.0960 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5984 1.1634 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3276 -2.1746 -0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6677 -1.9315 -1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6215 0.8852 1.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0259 2.7163 0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1495 1.7307 -1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2123 1.8724 0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.2766 -0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3652 -2.2519 1.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2153 -3.8315 0.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3501 -3.0181 -0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1686 2.6706 -2.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5231 -1.2534 -0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6774 -1.4112 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 2.4634 1.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4154 1.8676 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8102 -3.0849 -1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8509 -0.2360 -0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 -2.5400 -1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 34 1 0 0 0 0 2 14 1 0 0 0 0 2 35 1 0 0 0 0 3 12 2 0 0 0 0 4 17 2 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 22 1 0 0 0 0 6 25 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 2 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$