B7XYN6 -OEChem-04022105533D 42 45 0 0 0 0 0 0 0999 V2000 -1.1172 2.2536 0.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5511 -2.0738 0.9085 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0403 0.0838 -0.1206 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8039 3.6716 0.0304 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 2.4633 -0.0558 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1181 0.2374 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8908 1.2306 -0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3175 0.9099 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2315 2.4548 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 -1.1935 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2826 1.2681 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6988 0.5097 0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0648 -1.9209 1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -1.8585 -1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4719 0.0744 -0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 0.2827 1.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4042 0.3454 -1.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1485 3.5751 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -3.3118 1.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1003 -3.2494 -1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9695 -1.3568 -0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6802 -0.1065 1.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7435 -0.0436 -1.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 -3.9759 -0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3815 -0.2695 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5358 -0.7908 -0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0533 -1.4188 2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 -1.3072 -2.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8641 0.5407 0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8383 0.6384 -1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8084 0.4050 2.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9215 0.5169 -2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6878 4.5162 0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2278 -3.8775 2.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1143 -3.7666 -2.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0626 -1.3800 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 -1.8696 -1.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1770 -0.2827 2.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2898 -0.1710 -2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -5.0588 -0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4242 -0.5727 0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 -2.1077 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 21 1 0 0 0 0 2 42 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 3 26 1 0 0 0 0 4 9 2 0 0 0 0 4 18 1 0 0 0 0 5 11 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 19 1 0 0 0 0 13 27 1 0 0 0 0 14 20 2 0 0 0 0 14 28 1 0 0 0 0 15 21 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 22 1 0 0 0 0 16 31 1 0 0 0 0 17 23 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 24 2 0 0 0 0 19 34 1 0 0 0 0 20 24 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$