D06HQM -OEChem-04152111292D 43 42 0 1 0 0 0 0 0999 V2000 11.1241 3.9912 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 7.9244 -0.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.1738 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3246 -2.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 3.7850 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5028 2.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.3148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.4019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 3.3726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.6357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6783 -1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 2.6283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -0.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 0.7763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5467 2.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9534 1.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5663 1.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1596 1.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.9912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0490 3.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3812 3.9619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5819 3.2447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -1.6353 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 2 18 2 0 0 0 0 3 21 1 0 0 0 0 4 21 2 0 0 0 0 5 25 1 0 0 0 0 6 25 2 0 0 0 0 11 7 1 1 0 0 0 7 18 1 0 0 0 0 7 29 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 35 1 0 0 0 0 19 9 1 1 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 21 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 14 22 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 19 25 1 0 0 0 0 19 36 1 0 0 0 0 20 23 1 0 0 0 0 20 37 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 4 1 1 3 -1 5 -1 43 1 M END $$$$