BNU3A1 -OEChem-04022105463D 40 41 0 1 0 0 0 0 0999 V2000 1.0494 0.7027 -0.9393 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4276 -0.4810 0.5763 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1491 2.2381 2.0944 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7772 2.2020 -1.2377 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2851 -1.8009 0.4511 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 0.6970 -0.3796 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5156 0.2022 -0.3917 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2635 1.4945 1.2808 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0796 1.5391 -0.6498 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3073 2.3972 0.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9895 0.7978 0.1422 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1143 -1.1738 -0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 -0.1478 -1.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1493 -2.0799 0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1005 -2.0027 -1.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 -0.5280 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 1.1205 -0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -1.4043 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3531 -1.0418 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6877 -2.7308 1.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 0.7860 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 2.1613 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 2.7250 1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8342 3.2996 0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8102 1.4724 -0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 2.7376 2.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4672 0.5203 -0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4459 -0.6816 -2.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1353 0.4409 -2.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -2.7855 0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8503 -1.4928 0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7222 -2.6514 -0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6095 -2.6762 -1.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4913 -2.6145 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 -1.4019 -1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0285 -0.8132 0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4673 0.4773 -0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6217 -2.8948 1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0383 -3.5415 0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2101 -2.8006 2.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 8 1 0 0 0 0 3 26 1 0 0 0 0 4 17 2 0 0 0 0 5 19 2 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 37 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$