B17QCP -OEChem-04012116272D 43 45 0 0 0 0 0 0 0999 V2000 4.6456 -0.3873 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 0.2513 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 1.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 4.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 1.2219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6337 2.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 2.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0404 3.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4362 4.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 2.8796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 1.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 4.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2393 3.2183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -5.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -4.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5010 4.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0528 5.0454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3714 5.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 17 2 0 0 0 0 3 11 2 0 0 0 0 4 22 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 6 10 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$