B91NTV -OEChem-04022105392D 42 45 0 0 0 0 0 0 0999 V2000 2.8070 0.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 0.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 3.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -2.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -2.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -2.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -1.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -3.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -2.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -2.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -3.5586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -2.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -1.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 -0.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -1.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -2.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -0.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -1.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -3.9674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -3.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -3.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -3.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -3.5901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0760 0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 2.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9284 1.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 0.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8681 3.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6740 1.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6740 3.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 2 36 1 0 0 0 0 3 18 1 0 0 0 0 3 20 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 22 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 M END $$$$