BN4MS0 -OEChem-04042102103D 42 44 0 0 0 0 0 0 0999 V2000 5.3966 1.3246 0.8731 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0193 0.7887 0.4636 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9094 1.4929 -1.3612 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.1693 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7214 -0.4095 0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9718 1.9225 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0858 -0.3953 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0777 2.1131 1.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0448 0.6021 -0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2478 2.4897 0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3703 0.9788 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0337 -1.6217 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3723 2.3203 -0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7629 -1.5931 -0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7106 -2.8197 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0751 -2.8053 -0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4364 1.4835 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 0.0546 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8332 0.8542 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8262 -0.8523 -1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -0.4089 1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7646 -2.2228 -0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7942 -1.7793 1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2486 -2.6862 0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5773 1.5130 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6311 2.5613 1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4055 -0.1158 -1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7039 3.2257 1.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 0.5375 -1.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9766 -1.6678 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5372 3.3784 -0.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8264 -1.5957 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1766 -3.7640 0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 -3.7382 -0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4250 1.8867 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2301 -0.5065 -2.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 0.2790 1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 -2.9290 -1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -2.1402 2.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 -3.7532 0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4603 1.1186 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4215 2.3621 -1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 25 1 0 0 0 0 3 19 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 12 2 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 14 2 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 17 2 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$