B3CWF5 -OEChem-04042102003D 24 25 0 0 0 0 0 0 0999 V2000 -4.7822 -0.6106 0.4053 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 -0.4612 -0.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4168 2.5499 1.2158 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4290 2.6446 -0.9774 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9112 -3.0023 -0.1211 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 2.0951 0.0957 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8928 -0.1142 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3239 0.0048 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 1.0309 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2974 -1.3745 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2921 0.9157 0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0928 -1.4898 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8874 -0.3446 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0967 1.0800 -0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 -0.9818 0.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4488 0.8739 -0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6925 -2.8161 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5468 2.0211 0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8946 -2.2810 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6993 1.9634 -1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8272 -1.9035 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2569 1.5232 -0.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9999 -3.6739 -0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5261 -1.3832 0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 13 1 0 0 0 0 2 24 1 0 0 0 0 3 6 1 0 0 0 0 4 6 2 0 0 0 0 5 17 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 14 1 0 0 0 0 8 15 2 0 0 0 0 9 11 2 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 M CHG 2 3 -1 6 1 M END $$$$