B8IY3J -OEChem-04022100562D 33 35 0 1 0 0 0 0 0999 V2000 3.4030 -4.0784 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5784 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 0.9869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1515 -0.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 2.0706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7577 3.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -0.7737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -2.3832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3435 0.4842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3919 0.1768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3452 1.4842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3947 1.7949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0873 2.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2454 -0.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 0.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 2.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7825 1.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7065 3.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5394 2.4563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7183 0.1462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7212 1.8174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -1.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5672 4.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 20 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 12 4 1 1 0 0 0 4 28 1 0 0 0 0 14 5 1 1 0 0 0 5 29 1 0 0 0 0 6 16 1 0 0 0 0 6 31 1 0 0 0 0 13 7 1 6 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 18 2 0 0 0 0 8 19 1 0 0 0 0 9 17 1 0 0 0 0 9 21 2 0 0 0 0 10 20 2 0 0 0 0 10 21 1 0 0 0 0 11 21 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 6 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$