B90WLM -OEChem-04022110563D 28 27 0 1 0 0 0 0 0999 V2000 -1.6639 -0.9104 0.5651 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9393 -2.7682 0.4022 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4302 0.6342 -1.7084 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 -1.8068 -1.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3502 2.5105 -0.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7226 1.3725 -0.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4432 1.1438 1.8835 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1034 -0.5697 0.7012 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3598 0.3313 0.6647 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2092 0.1764 0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -1.7505 -0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3737 1.2887 -0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9384 0.2110 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3141 -0.4221 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4055 0.5592 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -0.9978 1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2731 -0.2735 0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3293 1.0194 1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2048 0.5668 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3227 1.6597 1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4682 0.5333 2.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3319 -1.2730 -0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5113 -0.7865 1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0721 -3.5427 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4233 1.4198 0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3857 0.0741 -0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2483 0.9354 -1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4431 1.2555 -2.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 11 1 0 0 0 0 2 24 1 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 11 2 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 23 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 M END $$$$