B97CUM -OEChem-04022105232D 51 53 0 0 0 0 0 0 0999 V2000 6.4692 0.2958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 0.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1602 1.2469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 4.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -5.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6602 -4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6602 -4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 5.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 5.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5262 -2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7941 -2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9901 2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 3.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -1.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5724 2.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5262 -1.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7941 -1.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5778 1.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9791 2.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 1.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0402 -5.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -5.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2802 -5.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6602 -4.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2802 -4.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6602 -3.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6602 -3.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0402 -4.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6602 -4.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7228 5.6564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8568 5.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 4.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 4.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 5.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2536 5.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 4.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 3.5307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 3.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0631 -3.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2572 -3.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3735 2.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6435 4.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0631 -1.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2572 -1.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3257 1.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5957 3.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 24 1 0 0 0 0 2 24 2 0 0 0 0 2 25 1 0 0 0 0 3 25 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 6 15 1 0 0 0 0 7 16 2 0 0 0 0 7 17 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 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 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 20 1 0 0 0 0 14 44 1 0 0 0 0 15 21 2 0 0 0 0 15 45 1 0 0 0 0 16 22 1 0 0 0 0 16 46 1 0 0 0 0 17 23 2 0 0 0 0 17 47 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 18 24 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 19 25 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 M END $$$$