BNU98V -OEChem-04022118433D 58 60 0 0 0 0 0 0 0999 V2000 0.6197 4.0287 -1.1358 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9562 5.2566 -0.4486 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4967 3.9894 -2.5769 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8453 -0.2564 0.7424 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4042 0.6608 2.7894 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5377 -3.5267 -0.1623 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5553 -2.0975 1.3409 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8005 3.3703 -0.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7593 1.7710 0.8529 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 2.1607 -1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7604 3.1906 1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7544 1.8763 -0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1676 2.9071 1.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7946 2.8014 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3422 0.7184 1.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4772 2.9248 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0402 1.7084 -1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4053 1.9552 0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9685 0.7389 -1.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6512 0.8622 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 -1.3731 1.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9536 -2.3366 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6201 -0.1481 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2455 -2.2128 -0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1180 -3.3560 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6797 -1.4061 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7020 -3.1085 -1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5742 -4.2516 -1.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8662 -4.1279 -1.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7103 -2.3488 0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4559 -4.5674 0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1344 -5.8031 -0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7073 1.2949 -0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3996 2.3244 -2.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3828 4.0964 1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1158 2.3454 1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1442 0.9687 -1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4311 2.6988 -0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8214 3.7697 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 2.7247 2.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3012 3.7663 1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5211 1.5932 -2.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9265 2.0675 1.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 -0.0838 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2986 -1.0249 2.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7352 -1.8652 2.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3334 0.1608 1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9051 -1.4214 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1086 -3.4614 0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9828 -1.7823 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7077 -3.0119 -1.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9233 -5.0449 -1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2213 -4.8251 -2.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4791 -4.2390 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3622 -4.7925 1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1078 -6.1331 -0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2063 -5.5887 -1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8190 -6.6205 -0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 4 15 1 0 0 0 0 4 21 1 0 0 0 0 5 15 2 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 30 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 17 19 2 0 0 0 0 17 42 1 0 0 0 0 18 20 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 25 28 2 0 0 0 0 25 49 1 0 0 0 0 26 30 1 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 M END $$$$