B5MQR9 -OEChem-04022103213D 30 31 0 0 0 0 0 0 0999 V2000 -4.0133 -1.5984 0.1505 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6034 0.7361 2.1124 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1627 2.1706 -0.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1643 1.0022 -0.1833 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5697 2.1337 -0.3047 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2878 -0.1675 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -0.2907 0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7713 -1.4841 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5409 1.1124 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4568 0.6171 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 0.6803 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8607 -2.3180 0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8096 0.0570 0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6785 -0.0931 -1.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8574 1.9422 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 -1.2131 0.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2529 -1.3633 -1.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6057 -1.9234 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7403 -1.8064 0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7604 1.2598 -0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7323 0.1818 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6706 1.3736 0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -3.3895 0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4078 0.3329 -2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2927 0.1012 -0.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 2.8083 -0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -1.6618 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4253 -1.9163 -2.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0528 -2.9125 -0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 0.1903 2.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 30 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 25 1 0 0 0 0 5 15 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 19 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$