B3VB9D -OEChem-04022118413D 40 42 0 0 0 0 0 0 0999 V2000 1.7748 2.2080 -0.3887 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5906 -2.2872 -0.7221 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7004 2.1196 0.7395 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2077 -3.1015 -0.5718 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1812 -2.7042 1.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 -0.0241 -0.0375 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 -2.3630 0.4114 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0528 0.2390 -0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2699 0.0442 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0486 -1.0920 0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -0.9947 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 0.3406 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2741 1.3754 -0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8826 1.2781 -0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4716 0.6370 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0382 1.0239 -0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1775 0.6086 1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2059 0.1705 -1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 1.5709 0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8632 -0.6594 -0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5690 0.7066 1.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5973 0.2686 -1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 -1.0218 -0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7702 1.2084 0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2789 0.5365 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1617 -0.0880 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0464 -1.8827 0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7372 2.3441 -0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3603 2.2051 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5019 -0.9452 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6396 0.7438 2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6903 -0.0390 -2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1344 2.5836 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1524 -1.3990 -0.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0998 0.9152 2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1502 0.1362 -2.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3622 0.6128 -0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2084 -0.3773 0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8046 -2.8003 -0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5773 1.6990 0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 23 1 0 0 0 0 2 39 1 0 0 0 0 3 24 1 0 0 0 0 3 40 1 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 30 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 27 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 17 31 1 0 0 0 0 18 22 2 0 0 0 0 18 32 1 0 0 0 0 19 24 1 0 0 0 0 19 33 1 0 0 0 0 20 23 2 0 0 0 0 20 34 1 0 0 0 0 21 25 2 0 0 0 0 21 35 1 0 0 0 0 22 25 1 0 0 0 0 22 36 1 0 0 0 0 23 26 1 0 0 0 0 24 26 2 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$