B1QB0E -OEChem-04042103143D 42 44 0 1 0 0 0 0 0999 V2000 -0.5075 -0.3724 1.1791 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1676 0.5989 -1.7219 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6348 0.4212 0.7263 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2517 0.0981 -0.9208 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 1.6462 0.3052 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4598 -0.0008 -1.1952 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2068 -2.8674 -0.1031 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5660 -0.0967 -1.4558 N 0 5 0 0 0 0 0 0 0 0 0 0 -4.9382 0.8181 0.3175 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7964 -0.1717 1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3571 -0.6836 1.3575 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5519 1.4384 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2504 0.5052 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 1.7674 0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2731 -1.9045 0.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 1.0619 -0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0151 0.9883 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7091 -0.2301 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0885 -0.2215 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6717 2.1977 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0644 -1.4567 -0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 1.0051 0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0282 2.2061 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7826 -1.4400 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7695 -2.6577 -0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 -2.6493 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6939 1.5864 0.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5479 -0.9684 1.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9013 0.3791 2.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9264 -0.8773 2.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 2.3143 0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2743 1.7238 -0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 2.6431 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9324 1.8538 -0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.9789 1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1411 3.1444 -0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0045 -1.5195 -0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7931 1.0356 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5392 3.1479 0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8433 -1.4573 0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2585 -3.6001 -0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6741 -3.5847 -0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 16 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 5 35 1 0 0 0 0 6 8 2 0 0 0 0 7 15 3 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 19 24 2 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 25 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 2 6 1 8 -1 M END $$$$