BQP9V4 -OEChem-04022102222D 53 56 0 1 0 0 0 0 0999 V2000 5.2675 -2.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3196 -0.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0938 1.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4474 2.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9074 -1.1524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8046 0.4613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6202 -2.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -2.0024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8770 -2.9805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8584 -0.8434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8584 0.1566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5983 -2.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9074 0.4656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8046 -1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 -3.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3196 -0.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3882 -0.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5983 1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1153 1.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4045 2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 2.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0508 2.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6936 3.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0293 2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6721 3.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3400 3.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6526 -1.6922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -2.2838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 -3.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8595 -1.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8595 1.0066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 0.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5536 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3420 -1.4574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -0.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -0.7985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -1.6741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9784 -3.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3764 -4.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1577 -4.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8491 -0.7581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8491 0.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 1.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4067 2.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0087 1.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3839 3.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7906 2.6559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8582 1.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2796 4.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4434 1.7753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8647 4.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9466 3.3151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 17 2 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 20 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 1 0 0 0 8 29 1 0 0 0 0 9 16 1 1 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 31 1 1 0 0 0 11 13 1 0 0 0 0 11 32 1 6 0 0 0 13 17 1 0 0 0 0 13 19 1 1 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$