L78WHM -OEChem-05022323373D 33 35 0 0 0 0 0 0 0999 V2000 -3.7697 -1.3887 -0.3280 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -3.1639 0.1034 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1509 1.8477 0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -0.4321 0.1577 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 -2.0805 -0.1759 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 0.0060 1.5002 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8271 0.2582 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0129 1.0507 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1322 -1.0565 -0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4451 0.6603 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1462 0.2815 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1199 -1.8186 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8712 -0.0578 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0438 2.5249 0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5615 0.7082 -0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5445 0.2082 -0.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8836 0.5700 -0.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4873 0.6501 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 0.3610 1.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6694 0.8713 -2.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5711 -3.0301 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4902 3.0135 -0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0602 2.9299 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 2.8109 1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2488 -0.1269 -0.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8634 1.1944 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7018 1.4225 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0523 0.1417 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5288 0.9309 0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1378 0.4094 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7315 0.6443 -1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3234 0.2674 -2.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 1.9298 -2.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 12 2 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 6 13 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 14 1 0 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$