B5MQR9 -OEChem-04012115492D 30 31 0 0 0 0 0 0 0999 V2000 7.3671 3.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6761 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6271 1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4684 1.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4355 1.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2168 1.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8187 2.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0026 3.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3294 0.0000 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 $$$$