BX8BU4 -OEChem-04042102223D 24 25 0 0 0 0 0 0 0999 V2000 -5.9734 -0.1397 0.0222 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1912 -1.6621 0.1046 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9011 -0.4576 1.1352 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8880 -0.6612 -1.0505 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4794 0.9509 -0.0616 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -1.2843 0.0899 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3151 -0.3754 0.0287 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1741 0.5451 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3031 0.8967 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0829 1.3362 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -0.9417 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9749 0.7979 1.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9607 0.5735 -1.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3173 -0.1605 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 0.0537 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 0.3763 1.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2902 0.1522 -1.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2162 2.4137 -0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7783 1.9166 -0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4756 1.0460 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4503 0.6454 -2.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8568 -2.2345 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 0.3111 2.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7704 -0.0911 -2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 11 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 22 1 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 18 1 0 0 0 0 12 16 1 0 0 0 0 12 20 1 0 0 0 0 13 17 2 0 0 0 0 13 21 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$