BR6BS8 -OEChem-04022117553D 63 65 0 0 0 0 0 0 0999 V2000 2.5705 0.5336 -1.2587 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9402 -2.0546 0.5579 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8905 1.9312 -1.0727 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0343 -0.2082 -2.4098 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9376 1.4035 -0.5533 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8471 1.6519 2.3373 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8728 0.3365 -1.1258 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0419 1.0401 0.4537 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3546 0.0757 0.1183 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5974 -0.3425 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8465 -0.4008 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0709 -0.3440 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2537 0.9755 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 -0.9916 -1.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 0.9023 0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -1.0345 -1.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9891 -1.0991 1.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2489 -1.0269 -0.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3536 -0.3043 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4920 -1.3541 1.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7342 -1.3042 -0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1043 -0.2142 0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5917 -0.0971 0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 1.8914 1.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1682 1.1074 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3950 -1.2153 0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7584 -1.0777 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5417 1.1409 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3548 2.3352 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6518 -2.2563 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6522 -1.0770 0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -1.3749 0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5844 0.1015 1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6882 1.3751 0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4948 1.6857 -0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3868 -0.3881 -2.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5165 -2.0059 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 1.9106 0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 0.2734 0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6181 -1.7211 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8149 -1.4122 -2.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6585 -0.6009 2.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4902 -2.0782 1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7543 -1.9937 -1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 -0.4612 -1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7014 -1.2041 -1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5805 0.5341 -1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7184 -1.9777 2.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0579 -0.4217 1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3628 -0.4103 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1087 -1.9139 -1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7525 0.6180 1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8931 -1.1126 1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0819 2.8893 1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3398 1.8604 -1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9711 -2.1683 1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0524 2.0495 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6102 2.4895 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8626 2.3059 -1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9907 3.2285 -0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5834 -2.6153 1.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6968 -1.9962 0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3708 -3.0664 0.0143 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 7 1 0 0 0 0 1 12 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 5 8 1 0 0 0 0 5 55 1 0 0 0 0 6 24 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 9 27 1 0 0 0 0 9 28 2 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 19 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 54 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 56 1 0 0 0 0 27 30 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 M END $$$$