BDB58W -OEChem-04042106033D 36 38 0 0 0 0 0 0 0999 V2000 -0.9194 3.1964 -0.3196 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0812 -1.6253 -0.6536 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8828 -1.3604 -1.1903 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -0.9854 0.1445 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7191 -2.2060 0.3395 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8005 0.0605 0.2531 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7739 1.3593 -0.0797 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4681 0.6604 -0.1015 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9556 0.5136 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 0.2049 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1081 1.0029 0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7474 1.2993 -0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2789 -1.0966 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9468 0.2863 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9058 -0.8802 -0.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5286 0.6997 0.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 1.5642 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6374 -1.0673 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4357 0.1287 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -1.9186 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7121 2.6676 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -0.1119 0.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -1.4186 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1482 -0.9733 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1787 2.0083 0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 0.9371 0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 0.7854 -0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5984 1.7138 1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3244 -1.5424 1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3527 -1.7215 -0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3533 -2.9340 -0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5219 3.3766 -0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3403 2.2019 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6036 0.2757 1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4916 -2.0446 0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6987 -2.1548 0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 15 2 0 0 0 0 4 19 2 0 0 0 0 5 24 1 0 0 0 0 5 36 1 0 0 0 0 6 24 2 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 33 1 0 0 0 0 8 12 1 0 0 0 0 8 17 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 25 1 0 0 0 0 12 21 2 0 0 0 0 13 20 2 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 16 22 1 0 0 0 0 16 28 1 0 0 0 0 18 24 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$