B3BQ5A -OEChem-04042103513D 48 51 0 0 0 0 0 0 0999 V2000 -1.1703 -2.8900 1.7900 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4032 3.0931 -0.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3067 4.1967 0.4923 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2694 1.9222 0.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8344 0.9146 0.1565 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3012 -0.8420 0.9370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -2.4451 0.9633 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4547 -2.9418 1.3184 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8638 -1.8035 1.1576 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2192 0.9313 -0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7332 -0.3463 0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5092 -0.3692 0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6529 -1.1434 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9631 2.0178 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 1.8007 0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 1.9592 -0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1095 -0.5997 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2511 3.1082 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4357 1.6854 -0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 0.4227 -0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 -2.1367 1.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7131 2.9683 0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7982 -3.5220 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0039 -2.4252 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1003 -1.5661 -0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0682 -2.2775 -1.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2611 -0.5592 -1.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2288 -1.2704 -2.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3253 -0.4113 -2.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7041 4.2267 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0742 -1.6973 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 1.0600 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 1.4490 1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7133 2.9585 -0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5205 -1.5852 0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1984 3.4734 -0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8111 3.8655 0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0987 2.4746 -1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0084 0.2278 -0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0918 -4.2703 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7343 -4.0644 0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2071 -2.9368 -1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1092 0.1202 -1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4992 -1.1540 -3.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4493 0.3741 -3.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0529 5.2577 0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8716 3.8999 1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2599 3.5965 0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 14 2 0 0 0 0 3 22 1 0 0 0 0 3 30 1 0 0 0 0 4 22 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 21 2 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 21 1 0 0 0 0 9 31 3 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 18 22 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 26 42 1 0 0 0 0 27 29 1 0 0 0 0 27 43 1 0 0 0 0 28 29 2 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END $$$$