B8A4TJ -OEChem-04022100422D 54 56 0 0 0 0 0 0 0999 V2000 5.6103 1.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.5210 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 10.5493 -0.5551 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 0 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 7.9244 -0.2233 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 6.2781 0.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -0.0171 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 7.5673 1.4715 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 9.5708 -0.7614 0.0000 C 0 0 0 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 2.8660 -3.5972 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 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 8.8564 2.6283 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 10.5028 2.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 3.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 2.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1241 3.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7920 3.2469 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 5.9880 -1.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -0.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3981 -0.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1557 -0.7985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4293 0.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6717 0.5582 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 4.8709 -3.9912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0444 -1.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8021 -1.3366 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 8.9598 1.2163 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 8.4424 3.0898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9634 -1.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7419 0.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3102 1.5009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7315 4.2465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8954 1.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3167 4.5806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3986 3.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 39 1 0 0 0 0 4 15 1 0 0 0 0 4 48 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 10 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 8 11 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 17 2 0 0 0 0 13 18 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 19 1 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 18 21 2 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 50 1 0 0 0 0 24 26 2 0 0 0 0 24 51 1 0 0 0 0 25 27 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 M END $$$$