L5LUR3 -OEChem-05022322512D 41 44 0 0 0 0 0 0 0999 V2000 4.6660 -1.3252 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -4.3252 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7696 3.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 -1.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -1.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 2.5992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.3252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3073 2.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8714 3.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 1.4848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3115 2.9837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 3.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.9798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0064 4.5893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1813 4.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8845 4.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 -2.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.7052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 -4.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -2.5152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -4.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 26 1 0 0 0 0 3 13 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 21 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 18 2 0 0 0 0 12 16 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$