B6IGR3 -OEChem-04022102472D 56 58 0 1 0 0 0 0 0999 V2000 5.4641 2.9182 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0818 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0818 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 3.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 2.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 3.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4182 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -2.0818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 4.6206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 3.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 4.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 5.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 3.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 2.3812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8451 1.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5805 1.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 2.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 5.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2308 5.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2766 4.6211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7018 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 20 1 0 0 0 0 2 21 1 0 0 0 0 3 25 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 16 8 1 6 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 24 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 26 1 0 0 0 0 22 25 2 0 0 0 0 22 48 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 26 29 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 M END $$$$