B3UNX7 -OEChem-04022109433D 41 44 0 1 0 0 0 0 0999 V2000 -1.1805 1.4992 0.1124 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2283 2.8491 1.8901 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0776 -0.7207 0.0302 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2474 -0.9911 -3.2029 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0428 0.6875 0.4918 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3165 -1.2346 -0.5803 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5044 -0.4946 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3753 0.8608 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1621 1.4401 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9501 -1.6189 0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7516 -1.1104 0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4699 1.6093 0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7351 2.4822 0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6927 1.0775 -1.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1476 -2.8034 -0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8278 -1.3740 1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2779 -1.0983 -2.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8459 -0.3726 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7060 0.9863 0.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 3.1626 0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7983 1.7580 -1.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -3.6972 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8501 -2.2678 1.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3722 2.8006 -1.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -3.4294 0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0277 0.6892 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4536 -2.2906 -0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8813 -2.1625 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3657 2.6687 0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2643 0.2878 -1.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5222 -3.0475 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7277 -0.4951 2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8117 -0.8549 0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5623 1.5599 1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2977 3.9770 0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2095 1.4795 -2.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -4.6000 -0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 -2.0619 2.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2322 3.3311 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8170 -4.1253 1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7544 3.5864 2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 13 1 0 0 0 0 2 41 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 4 17 3 0 0 0 0 5 9 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 18 1 0 0 0 0 11 28 1 0 0 0 0 12 19 1 0 0 0 0 12 29 1 0 0 0 0 13 20 2 0 0 0 0 14 21 1 0 0 0 0 14 30 1 0 0 0 0 15 22 1 0 0 0 0 15 31 1 0 0 0 0 16 23 2 0 0 0 0 16 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 24 1 0 0 0 0 20 35 1 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 25 2 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$