BKS3A8 -OEChem-04022101462D 44 46 0 1 0 0 0 0 0999 V2000 4.3211 -0.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.1554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.9602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.7649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 3.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 2.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.9987 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8994 1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 3.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7745 3.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1895 3.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5963 2.8908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 -1.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1739 1.2364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 2.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 -0.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 0.5683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0886 3.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6919 4.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9099 4.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3950 1.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2705 1.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3179 2.6794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1738 -2.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0494 -2.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0968 -1.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 27 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 13 2 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$