B38NPW -OEChem-04012113213D 27 28 0 0 0 0 0 0 0999 V2000 2.5362 -1.3887 -0.0029 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 -1.0651 -0.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2372 -2.3431 0.0058 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0958 1.7139 -0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0994 -0.5718 -0.0023 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6446 1.1062 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 -0.3694 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2439 -1.0949 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0785 -0.3126 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7117 -1.0682 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 1.0256 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 -0.3721 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7147 1.7216 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9219 1.0229 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8158 -0.1701 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8473 0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9274 1.5940 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 0.3077 0.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1123 0.3108 -0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 -2.1554 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5928 1.6120 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7021 2.8083 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4475 -1.5217 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9275 0.5529 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1238 2.6563 0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8265 -0.4256 -0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9023 2.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 12 1 0 0 0 0 2 26 1 0 0 0 0 3 8 2 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 23 1 0 0 0 0 6 15 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 M END $$$$