B6LN1M -OEChem-04042102413D 40 42 0 0 0 0 0 0 0999 V2000 -5.3400 -0.3946 1.2619 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8768 1.1281 -0.0726 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4007 -3.1792 -0.5755 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1055 -2.1964 0.5621 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1321 0.5297 0.0166 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4606 -0.1110 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8362 0.5974 -1.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7649 1.2702 1.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7446 0.3546 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3123 0.2749 -1.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 0.9137 1.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1533 -0.9267 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8883 1.4744 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 0.0438 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2329 -1.0801 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 1.3211 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9891 -2.1205 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3641 0.9974 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8015 0.5500 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7689 0.8103 -0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0084 0.2141 -0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9161 -0.4713 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7279 1.6099 -1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -0.1079 -1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2859 1.0334 2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6539 2.3458 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4567 -0.7721 -0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8613 0.4369 -2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7449 1.5481 1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3896 -0.1294 1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3041 2.4796 -0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6893 -2.0672 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1027 2.2226 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8235 -1.0582 -0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2012 1.5947 -0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2007 1.6554 0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6166 1.3940 -1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 -3.9786 -0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9213 0.2844 -1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6988 -1.0135 1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 17 1 0 0 0 0 3 38 1 0 0 0 0 4 17 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 6 34 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 13 16 2 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$