B2PR7I -OEChem-04012112453D 36 36 0 1 0 0 0 0 0999 V2000 1.0357 -0.7226 1.1252 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0176 -3.4108 0.3060 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2129 2.3318 1.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5436 2.8241 -0.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9609 -0.5891 -1.7944 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0282 0.2113 0.1831 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4331 -1.0705 0.4011 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8473 0.8140 -0.3832 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6903 -0.1826 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7088 -1.6204 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7674 -0.5616 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 2.0844 0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2564 -1.7734 0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -0.4412 -0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5511 -0.2538 0.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9531 0.1009 -1.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5344 0.7300 0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9364 1.0848 -1.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7271 1.3993 -0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1281 -0.9545 0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1155 1.1344 -1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0117 -1.0678 -1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8652 0.2782 -1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1501 0.2611 1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5752 -2.1305 -0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0074 -2.3877 0.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3951 -0.0776 0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4081 -0.7676 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3416 -0.1348 -2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1496 0.9754 1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0861 1.6065 -2.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4925 2.1656 -0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7608 -1.6122 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7245 -0.1119 0.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 -1.5217 1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 3.1587 1.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 13 2 0 0 0 0 3 12 1 0 0 0 0 3 36 1 0 0 0 0 4 12 2 0 0 0 0 5 14 2 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M END $$$$