B1QHW6 -OEChem-04012115462D 45 48 0 0 0 0 0 0 0999 V2000 2.8660 3.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0585 -3.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6984 -1.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 3.0955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5817 3.0997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5328 2.7907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9929 -2.8577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 2.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 2.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5817 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5328 1.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2727 0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9418 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6328 -1.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6547 -1.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3456 -2.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3019 -1.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0148 -3.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3675 -2.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0803 -3.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 3.6848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3901 3.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0344 1.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6662 0.4017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5483 -0.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2398 -0.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9084 -1.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8232 -3.6553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9514 -3.0830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4739 -3.8183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 -4.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 25 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 27 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 29 1 0 0 0 0 5 9 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 32 1 0 0 0 0 7 18 2 0 0 0 0 8 24 2 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 38 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 39 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$