BK49CS -OEChem-04022118523D 35 35 0 0 0 0 0 0 0999 V2000 -3.0444 0.4457 0.5731 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6318 -1.1514 0.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5756 1.7797 0.3103 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2081 -0.1417 1.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 0.5848 -0.4672 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6253 -0.5761 -0.5658 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8045 -0.3108 0.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4958 -1.7039 -1.5688 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 0.1325 -0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 0.5511 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3259 0.4864 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3018 -0.7327 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7911 -0.2451 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5773 1.4651 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8895 -0.3954 0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7956 1.4327 -0.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4834 -0.4277 0.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6620 -0.3292 -0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8962 -0.8642 -0.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3531 1.1834 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1412 0.0542 -1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3241 -0.6638 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1131 -1.7850 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1172 1.3029 -1.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9777 2.2067 -1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -1.1369 1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4336 2.1494 -1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8753 -1.1793 1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6848 -0.4240 -1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4454 -0.9713 -0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8974 0.7075 -0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5424 0.3320 0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7916 -0.5340 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9501 -2.1854 -2.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4968 -1.8660 -1.5614 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 6 1 0 0 0 0 1 11 1 0 0 0 0 2 13 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 24 1 0 0 0 0 6 19 2 0 0 0 0 7 19 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 19 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 M END $$$$