BK3IN5 -OEChem-04012115292D 56 58 0 1 0 0 0 0 0999 V2000 7.7331 1.1377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2331 2.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 0.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8623 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 0.6377 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.6377 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2251 1.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2251 3.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 1.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 2.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 1.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 0.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -0.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.7547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -0.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -0.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 -0.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 -0.2797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2179 0.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2179 3.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 -2.8993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 -1.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6669 1.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6669 2.9705 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 6 1 0 0 0 0 1 15 1 0 0 0 0 4 16 1 0 0 0 0 4 26 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 24 3 0 0 0 0 18 20 1 0 0 0 0 18 46 1 0 0 0 0 19 22 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 22 48 1 0 0 0 0 23 27 1 0 0 0 0 23 49 1 0 0 0 0 24 51 1 0 0 0 0 25 28 1 0 0 0 0 25 50 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 M END $$$$