B96LOR -OEChem-04022106133D 22 21 0 1 0 0 0 0 0999 V2000 3.2127 -1.4662 -0.5924 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8963 0.3037 0.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3731 -0.7805 0.4664 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5235 1.0251 -0.6163 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.7109 0.2152 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5266 -0.4579 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8262 0.1820 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7077 0.3732 -0.3733 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0080 -0.6326 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0477 -0.2414 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3502 -0.0161 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5676 -1.4650 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6076 -0.5895 1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9131 0.2879 -1.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 1.1939 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 0.4764 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9832 -1.6370 -0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9348 -0.7198 1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4902 2.2489 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7753 1.6500 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0852 -1.8556 -0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2473 -0.3916 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 21 1 0 0 0 0 2 10 2 0 0 0 0 3 11 1 0 0 0 0 3 22 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 M END $$$$