BY2QI3 -OEChem-04022116083D 20 21 0 0 0 0 0 0 0999 V2000 -2.4210 -1.2857 0.4516 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3670 -0.6045 0.1490 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7168 -0.7147 -0.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0102 -0.2220 0.1586 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8933 1.1291 -0.3414 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 0.9828 -0.3271 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 0.8213 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3884 0.3473 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3243 0.0281 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4104 0.7907 0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -0.0728 0.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 -0.9709 -0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7539 -0.2286 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8045 1.6881 0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8268 1.1498 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3433 -1.1283 0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.6233 1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4905 -0.0442 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4595 -1.8071 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8054 1.7793 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 13 2 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 13 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$