L2R4HE -OEChem-05022322092D 46 45 0 1 0 0 0 0 0999 V2000 7.7331 0.0950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.4050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 2.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 2.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 0.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 0.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 -1.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 -0.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -1.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 2.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 2.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 23 1 0 0 0 0 4 20 2 0 0 0 0 5 21 2 0 0 0 0 6 24 1 0 0 0 0 6 45 1 0 0 0 0 7 24 2 0 0 0 0 10 26 1 0 0 0 0 10 46 1 0 0 0 0 11 26 2 0 0 0 0 15 12 1 6 0 0 0 12 20 1 0 0 0 0 12 34 1 0 0 0 0 13 21 1 0 0 0 0 13 25 1 0 0 0 0 13 40 1 0 0 0 0 19 14 1 1 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 20 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 24 1 0 0 0 0 19 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$