B17HYF -OEChem-04042104293D 48 50 0 0 0 0 0 0 0999 V2000 -5.4576 0.7955 -0.4530 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6098 3.2639 1.4413 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9932 2.8655 0.7573 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5821 -4.1180 1.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 -3.6305 -0.7667 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5441 1.3752 -0.9329 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9592 0.8071 -1.2252 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6493 0.6029 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4634 -0.8679 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9676 1.5628 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1430 -1.8212 0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0891 1.9968 0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4018 1.0385 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2207 1.7277 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 2.3436 0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6601 2.0526 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 2.5752 1.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7407 0.6770 -0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 0.4856 -1.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 1.2615 -0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4569 2.2083 0.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0193 -3.2642 0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4028 -0.9558 -0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0164 -1.4028 1.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7465 -1.8759 -1.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9735 -2.7702 1.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7037 -3.2430 -0.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3171 -3.6902 0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7202 0.8363 0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2519 0.7595 1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8672 -1.0248 -1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3952 -1.1122 -0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3592 1.4202 -1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1801 2.5956 -0.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2100 -1.5824 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6899 -1.7147 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1779 0.7115 -1.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9507 3.3066 1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9726 -0.0590 -1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -0.2579 -2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2405 2.6705 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1164 3.8841 1.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7502 -0.7044 1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0495 -1.5461 -2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4978 -5.0528 0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6737 -3.1184 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9711 -3.9596 -1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2838 -4.7547 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 2 15 1 0 0 0 0 2 42 1 0 0 0 0 3 16 2 0 0 0 0 4 22 1 0 0 0 0 4 45 1 0 0 0 0 5 22 2 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 37 1 0 0 0 0 7 14 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 22 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 21 2 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$