L1WJE8 -OEChem-05022323243D 41 45 0 0 0 0 0 0 0999 V2000 5.8246 2.3229 -0.1297 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7349 -0.6841 -0.0345 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4842 2.6604 -0.0375 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4629 -3.2125 0.2926 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1315 -3.3886 0.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8495 0.4930 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4882 -0.8581 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2148 0.5650 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2535 1.8402 0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1972 -1.4798 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1525 -1.5192 -0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4826 -1.2533 -0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6773 -1.5734 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0838 -0.8600 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6764 1.9126 -0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1742 -2.7476 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -0.0622 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0324 -2.7089 0.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2666 -2.3123 -0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4023 1.0891 -0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6675 1.0631 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5505 2.1703 -0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 2.1184 0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9641 3.2255 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2293 3.1997 1.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7205 2.0802 0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 2.0556 -0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8853 -2.6352 0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 0.0937 -0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 -0.9342 -0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4684 3.6753 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7877 -0.3346 -2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1673 0.2916 -2.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -3.2254 1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3237 -2.5075 -0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7725 -4.0856 0.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3415 0.2279 -0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5619 2.2030 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0662 2.0985 1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3007 4.0671 0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5512 4.0214 1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 30 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 31 1 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 4 36 1 0 0 0 0 5 16 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 15 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 17 1 0 0 0 0 12 19 2 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$