B5STJ4 -OEChem-04022118203D 63 67 0 0 0 0 0 0 0999 V2000 5.5012 -1.7946 -1.5966 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.1139 -3.8177 -0.5801 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5121 -2.5547 -2.3077 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1062 -2.1767 -1.7019 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4006 -0.7119 0.0809 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 1.5641 0.3478 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 2.2092 0.2655 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 0.5562 -0.0847 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7829 2.8632 0.0368 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5394 2.6321 0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6862 -0.1240 -1.9751 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5091 -2.6824 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4509 -1.5515 -0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1008 -3.0352 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7235 -0.3317 -0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3694 -1.8149 1.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4218 0.2873 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1061 -0.1011 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1725 0.9128 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8040 2.4604 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1918 3.8828 0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6255 1.3104 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5286 1.7401 -0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6319 0.7023 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9648 1.7631 -0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 0.8425 -1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 0.8194 -1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6985 2.7299 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7468 1.8093 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 2.7528 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9429 -1.8303 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 -1.6485 1.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2706 -2.0386 0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 -1.6751 2.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6196 -2.0652 1.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6407 -1.8836 2.8176 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1302 -2.3832 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4653 -1.2763 -1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9442 -1.9040 -1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5328 -3.4609 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1454 -3.8238 1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3148 0.1273 0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6285 0.4051 -1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3443 -2.1132 1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8412 -1.4866 1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1328 -4.5289 0.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8211 -1.1318 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6986 -0.4465 -0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3950 4.0483 1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3928 4.5625 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0909 4.1291 0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8527 -0.3450 -0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0477 0.0900 -1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 3.8199 0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2177 3.4717 1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6180 0.1608 -2.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8311 1.8353 -0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6615 3.5031 0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9226 -1.4918 0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0504 -2.1743 -0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5507 -1.5346 3.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6537 -2.2254 2.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9124 -1.9041 3.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 11 1 0 0 0 0 1 31 1 0 0 0 0 2 12 1 0 0 0 0 2 46 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 6 20 1 0 0 0 0 7 19 1 0 0 0 0 7 20 2 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 54 1 0 0 0 0 10 22 2 0 0 0 0 11 26 1 0 0 0 0 11 56 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 20 21 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 52 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 29 2 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 59 1 0 0 0 0 33 35 2 0 0 0 0 33 60 1 0 0 0 0 34 36 2 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 M END $$$$