B8UQX5 -OEChem-04012116022D 22 23 0 0 0 0 0 0 0999 V2000 5.2152 -1.0545 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5259 1.5055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 0.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5044 1.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 2.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -0.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6322 1.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1110 1.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3765 2.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 2.6638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 2.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3966 1.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 12 2 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 7 1 0 0 0 0 4 13 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 8 2 0 0 0 0 8 12 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 13 22 1 0 0 0 0 M END $$$$