Mrv0541 02241220082D 17 12 0 0 0 0 999 V2000 -3.5055 -2.4863 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.2007 3.1384 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.5055 0.0404 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.2007 -3.1384 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 -0.0815 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4075 1.4267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3254 -1.5082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4671 -0.2850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4678 -0.5295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8151 -0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0815 -0.1226 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 -0.8966 0.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3041 0.8555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 0.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 1.1007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5 6 3 0 0 0 0 5 13 1 0 0 0 0 7 8 3 0 0 0 0 7 13 1 0 0 0 0 9 10 3 0 0 0 0 9 13 1 0 0 0 0 11 12 3 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 3 0 0 0 0 16 17 3 0 0 0 0 M CHG 4 1 1 2 1 3 1 4 1 M END