BW9EM5 -OEChem-04022105543D 31 32 0 1 0 0 0 0 0999 V2000 -3.6478 -0.7718 1.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3749 2.2443 -0.4025 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8847 0.4655 0.4384 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2967 -0.5986 -0.5289 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1184 -1.0169 0.1281 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7677 1.3771 0.0201 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0721 -2.3342 -0.2384 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.0736 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5237 0.1202 -0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7611 -1.1564 -0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2916 0.4381 0.5108 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3750 1.2851 -0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1679 -1.9628 -0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6832 0.2803 0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5823 1.1837 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9495 -2.2010 0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3303 2.7209 0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1315 -0.5216 -1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2942 1.0249 -1.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6675 1.0269 1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0058 -2.6306 -0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1311 1.4015 1.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3808 2.1287 -0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2472 0.5778 -0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.9347 0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9031 -2.8084 -0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5693 -2.7776 1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5844 3.5037 -0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 2.8172 -0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7873 2.8477 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1031 -0.5311 2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 31 1 0 0 0 0 2 12 2 0 0 0 0 3 14 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 13 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 M END $$$$