B2K3PC -OEChem-04012119252D 49 48 0 1 0 0 0 0 0999 V2000 7.7331 0.1550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.6550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -1.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -0.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 20 2 0 0 0 0 3 21 2 0 0 0 0 4 24 1 0 0 0 0 4 46 1 0 0 0 0 5 25 1 0 0 0 0 5 47 1 0 0 0 0 6 24 2 0 0 0 0 7 25 2 0 0 0 0 8 27 1 0 0 0 0 8 48 1 0 0 0 0 9 27 2 0 0 0 0 10 28 1 0 0 0 0 10 49 1 0 0 0 0 11 28 2 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 12 36 1 0 0 0 0 13 21 1 0 0 0 0 13 26 1 0 0 0 0 13 41 1 0 0 0 0 14 19 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 24 1 0 0 0 0 19 37 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 27 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$