B2XQT9 -OEChem-04042104193D 37 39 0 0 0 0 0 0 0999 V2000 4.4839 0.9840 1.1413 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4862 1.0883 -1.0514 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6901 0.4687 0.0113 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1287 -1.8190 -0.0956 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 0.9618 0.0407 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5841 0.4252 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7368 -0.2913 1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8177 0.4674 -1.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3671 0.3667 1.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4443 1.1184 -1.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9346 -0.2652 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 0.5456 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4733 -0.6160 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2991 1.8101 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8779 -0.4862 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6831 1.9305 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4727 0.7854 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6488 -1.6552 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6515 -2.9229 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0314 -2.8962 -0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 1.4548 0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2547 -0.2874 2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6002 -1.3427 0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3933 1.0197 -1.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6875 -0.5531 -1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4761 1.3678 1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7727 -0.2318 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9029 1.0338 -2.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5623 2.1867 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8136 -1.3014 -0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5459 0.2600 -0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4888 -0.2765 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3078 2.7107 0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 2.9200 0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 -1.6295 -0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1135 -3.8641 -0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6117 -3.8104 -0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 19 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 M CHG 2 1 -1 5 1 M END $$$$