BRZQ31 -OEChem-04012118142D 46 46 0 1 0 0 0 0 0999 V2000 6.3301 -0.3413 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.1587 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.8301 -1.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -1.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 1.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3549 -2.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1587 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 3.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6828 -1.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2044 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6493 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0941 -3.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8333 -4.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0595 -3.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1287 -2.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 -0.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.4239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5093 -0.3947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2348 -3.9970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6716 -4.7573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4319 -4.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8978 -4.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6581 -3.6158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2212 -2.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2904 -2.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5302 -2.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9670 -3.5311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.6218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 5 16 2 0 0 0 0 6 20 1 0 0 0 0 6 27 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 21 1 0 0 0 0 9 21 2 0 0 0 0 10 22 2 0 0 0 0 11 27 2 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 6 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 15 18 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 2 2 1 8 -1 M END $$$$