B6S2QZ -OEChem-04022111213D 35 38 0 0 0 0 0 0 0999 V2000 0.2732 3.0674 -0.0292 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7785 3.5515 -0.5198 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5265 0.7385 -0.2855 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0548 0.3324 0.3632 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8477 1.6599 0.5194 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1571 -0.9654 0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 0.2476 0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -0.6264 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2737 1.2857 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8363 -2.3185 0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5105 -1.5760 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 2.6724 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4998 1.5112 0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 -3.2792 0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1687 -2.9114 0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8445 0.7268 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0043 0.6941 1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6822 -0.1753 -0.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8393 -1.1429 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 -0.2407 0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6795 -1.1100 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9061 -2.1418 -0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3638 1.2636 -0.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -2.6203 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5353 -1.2907 -0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6113 -4.3240 0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9426 -3.6740 0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1896 2.5764 0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 1.3917 1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8031 -0.1591 -1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9015 -0.2553 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -1.8028 -1.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6213 -1.7259 -1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4817 -3.0600 -1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4456 -2.4261 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 12 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 7 1 0 0 0 0 4 13 2 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 9 2 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 15 1 0 0 0 0 11 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 18 21 2 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$