B8IO3N -OEChem-04022108302D 57 59 0 1 0 0 0 0 0999 V2000 8.5991 0.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 1.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 -0.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5950 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 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.9050 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.0950 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 5.1350 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.4050 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 4.2690 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7532 -2.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3732 -1.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 4 12 2 0 0 0 0 5 28 1 0 0 0 0 5 56 1 0 0 0 0 6 33 1 0 0 0 0 6 57 1 0 0 0 0 7 33 2 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 15 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 13 17 2 0 0 0 0 13 20 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 23 2 0 0 0 0 15 24 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 41 1 0 0 0 0 18 25 1 0 0 0 0 18 42 1 0 0 0 0 19 26 2 0 0 0 0 19 43 1 0 0 0 0 20 27 2 0 0 0 0 20 44 1 0 0 0 0 21 28 2 0 0 0 0 21 33 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 22 31 1 0 0 0 0 23 29 1 0 0 0 0 23 45 1 0 0 0 0 24 30 2 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 29 32 2 0 0 0 0 29 50 1 0 0 0 0 30 32 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 M END $$$$