LBS3E6 -OEChem-05022323482D 55 59 0 0 0 0 0 0 0999 V2000 3.4030 1.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7988 1.1300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7988 1.1300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -1.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.1020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 1.1300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 0.2640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 -0.6020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2988 1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2988 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2988 1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2988 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7988 1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7988 1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 -1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4065 2.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7162 2.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7162 0.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4065 -0.3466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8814 2.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1912 2.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1912 -0.3466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8814 0.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7988 0.5100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4188 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7988 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -2.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -2.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.9943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6088 2.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6088 -0.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 -1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 0.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9888 2.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9888 -0.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4888 1.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9888 -2.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 -2.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 21 1 0 0 0 0 4 48 1 0 0 0 0 5 20 1 0 0 0 0 5 23 1 0 0 0 0 5 50 1 0 0 0 0 6 26 1 0 0 0 0 6 28 1 0 0 0 0 6 53 1 0 0 0 0 7 27 2 0 0 0 0 7 28 1 0 0 0 0 8 28 2 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 20 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 18 46 1 0 0 0 0 19 25 2 0 0 0 0 19 47 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 49 1 0 0 0 0 24 26 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 M END $$$$