B45QTF -OEChem-04022113113D 24 25 0 0 0 0 0 0 0999 V2000 3.4537 -1.3529 -0.5227 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -0.2553 -0.2610 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0821 1.2655 0.7165 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3616 2.3205 0.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9285 2.2772 -1.1618 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9373 -0.6586 -0.1003 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -1.8618 0.2907 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 0.9189 0.4221 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9645 0.9785 0.3639 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4848 -0.5192 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6202 0.2272 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1794 0.1102 0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2251 -0.2374 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8305 -0.4474 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8681 -1.8283 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6769 -2.4830 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5819 1.6723 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6322 -0.1263 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7771 -1.5975 -0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7511 0.0888 -0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -2.3752 -0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6523 -3.5597 0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4106 1.8341 0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3293 3.2936 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 18 2 0 0 0 0 3 12 2 0 0 0 0 4 17 1 0 0 0 0 4 24 1 0 0 0 0 5 17 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 18 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 M END $$$$