BL3E4B -OEChem-04012114372D 37 40 0 0 0 0 0 0 0999 V2000 6.4783 -2.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7674 0.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1211 1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.3719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4532 1.8373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 -0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0619 -1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7889 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0619 -1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0781 1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4103 2.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0566 1.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7209 3.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3673 2.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6994 3.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4318 2.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0619 -2.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6819 -1.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0619 -0.7865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4707 1.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3069 3.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9740 2.7901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8920 3.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 12 2 0 0 0 0 4 15 2 0 0 0 0 5 16 2 0 0 0 0 6 14 1 0 0 0 0 6 20 2 0 0 0 0 7 27 3 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 27 1 0 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 24 26 1 0 0 0 0 24 35 1 0 0 0 0 25 26 2 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 M END $$$$