B8EVG6 -OEChem-04012119382D 52 51 0 1 0 0 0 0 0999 V2000 7.7331 0.3450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 0.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -2.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 -2.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 -1.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 -0.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -2.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 18 2 0 0 0 0 3 21 2 0 0 0 0 4 23 1 0 0 0 0 4 51 1 0 0 0 0 5 23 2 0 0 0 0 6 25 1 0 0 0 0 6 52 1 0 0 0 0 7 25 2 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 8 39 1 0 0 0 0 9 21 1 0 0 0 0 9 24 1 0 0 0 0 9 46 1 0 0 0 0 19 10 1 1 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 20 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 19 23 1 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 M END $$$$