B1GQ6D -OEChem-04022113043D 46 47 0 1 0 0 0 0 0999 V2000 -1.9774 1.8886 -0.1183 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4598 -1.2655 0.4782 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2865 -0.1002 1.4935 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5610 -0.0471 -0.6839 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9066 -1.1174 -0.6926 N 0 0 2 0 0 0 0 0 0 0 0 0 6.8210 -0.0471 0.3294 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5398 -1.1949 -0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5874 -0.8621 0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 0.2014 -0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9469 -0.2489 0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6478 0.1363 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4042 -2.3509 -1.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0771 1.0983 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0835 -1.0432 0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1883 0.0765 1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4902 0.1350 -1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3505 -0.4904 0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 1.6513 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4806 0.8569 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 0.0158 1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8729 0.0744 -1.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4133 0.0147 0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2035 3.2538 -0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7234 -0.6355 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -1.8122 0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -1.6881 -1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -0.1678 1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6623 -1.7778 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 0.7722 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9261 0.7856 -1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9115 -2.5288 -2.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4742 -2.2872 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2323 -3.2271 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9919 -2.0944 0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5415 0.0746 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0806 0.1792 -2.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5217 2.6885 -0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4340 1.3492 -0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9565 -0.0302 2.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4984 0.0750 -2.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2214 3.7319 -0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7521 3.7840 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6815 3.3487 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4937 -1.3978 0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8318 -0.2784 -0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9032 0.1561 1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 23 1 0 0 0 0 2 17 1 0 0 0 0 2 24 1 0 0 0 0 3 6 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 18 1 0 0 0 0 14 17 2 0 0 0 0 14 34 1 0 0 0 0 15 20 1 0 0 0 0 15 35 1 0 0 0 0 16 21 2 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M CHG 2 3 -1 6 1 M END $$$$