B9R8VI -OEChem-04012113313D 40 42 0 0 0 0 0 0 0999 V2000 0.5405 -3.1057 -0.4899 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0929 0.7257 0.5715 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2048 -0.4537 0.4873 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 -0.3340 0.0741 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5848 2.7489 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1433 1.8733 1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 0.6114 0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 1.9773 -1.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3532 3.2927 -0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4209 -0.3850 0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1245 -1.5609 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5111 -1.5651 0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 0.8465 0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2047 0.5752 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 -2.8478 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1136 -3.7735 -0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7762 0.7395 -1.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9705 0.1631 1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1368 0.4876 -1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3312 -0.0889 1.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9143 0.0734 -0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1571 3.5963 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5015 2.4548 1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0273 1.5970 1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 1.1952 -1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3156 1.5155 -0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8714 2.6590 -1.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6569 4.0279 -1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7951 2.5087 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 3.7970 -0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4429 -1.1926 -0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4244 1.6468 -0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5684 1.2276 1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 -3.0808 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2642 -4.8127 -0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1793 1.0597 -1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 0.0315 2.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5908 0.6134 -2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9366 -0.4121 1.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9737 -0.1230 -0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 7 1 0 0 0 0 2 10 2 0 0 0 0 3 7 2 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$