B1H6AG -OEChem-04022104133D 28 29 0 0 0 0 0 0 0999 V2000 -3.5083 2.2854 -0.2159 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3996 2.6070 0.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1478 -0.5419 0.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3067 0.4917 0.4786 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6948 -1.7767 0.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 1.8403 0.0045 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3329 0.2068 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5332 -0.3267 0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 0.3902 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8486 -0.1098 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 -1.5560 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1181 0.4503 -0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6150 0.8820 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6182 -2.4713 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1153 -0.4871 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8762 -1.8843 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 1.1635 -0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2429 -0.4886 -1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5598 0.3791 1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9478 -1.2782 1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9016 1.1082 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2262 -0.5607 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5677 0.1680 -1.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2408 1.8472 -1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6654 1.0075 -0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4573 -3.5393 -0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1326 -0.1503 -0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7112 -2.5340 -0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 M CHG 2 1 -1 6 1 M END $$$$