BN4B6F -OEChem-04022102213D 27 27 0 0 0 0 0 0 0999 V2000 1.9752 -1.0897 -0.3753 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4457 -0.6598 -1.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -2.4874 0.0127 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6394 1.8134 1.4854 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9954 1.5298 -0.6201 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7568 0.4107 0.1202 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 -0.1070 0.8203 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1444 1.1778 0.5517 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2920 -0.6494 -0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3974 0.0544 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5393 -1.3505 0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2214 0.4037 -0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 -0.9986 0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 0.7554 -0.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2974 1.5085 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 -0.3113 1.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1585 -2.1694 1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 0.9650 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4891 -1.5732 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9171 1.5816 -1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3631 1.6622 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2109 1.3131 -1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7951 2.4513 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6528 0.0811 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2875 -0.2215 2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6965 -1.3699 0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8898 -0.4789 1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 M CHG 2 4 -1 8 1 M END $$$$