D04PKE -OEChem-04152112023D 28 28 0 1 0 0 0 0 0999 V2000 3.5622 -2.0038 0.5617 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1092 -1.2983 -0.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1631 -0.0260 -0.2188 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -0.0568 0.2120 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2386 1.1823 -0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9978 -0.0228 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 -0.0834 0.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7411 2.4773 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6636 0.0744 -1.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -0.0635 0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 1.1458 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1169 -1.2541 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4697 1.1107 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4668 -1.1818 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5629 -0.1029 1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1997 1.2722 -1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3017 1.0692 -0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2143 -0.1568 1.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7825 2.4199 1.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7123 2.7024 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3696 3.3153 0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 1.0611 -2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3902 -0.0766 -1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -0.6799 -2.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6239 2.0947 0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6184 -2.2168 0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0472 2.0266 -0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0418 -2.0818 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 3 13 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 M END $$$$