BF90QP -OEChem-04022100262D 58 59 0 0 0 0 0 0 0999 V2000 3.5032 3.3487 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 2.3487 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 1.5826 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 4.3487 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7372 3.9916 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5032 3.3487 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 -2.5992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5032 2.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -1.6513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -3.1902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8322 -4.3487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -2.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 -2.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -0.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 2.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 -1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 -3.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7006 -2.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5032 2.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 3.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 -2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6517 -2.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3948 -3.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0890 -3.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2039 -1.5152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7519 -1.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9722 -1.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 -0.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -0.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3676 -3.6918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 1.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 1.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -2.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -3.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -0.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4063 -0.3455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9288 -1.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2121 -3.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 -3.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4461 -1.9085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6664 -1.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1403 -2.2686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3606 -2.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9063 -3.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6859 -3.8669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8132 1.8118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8345 -2.6287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0548 -2.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 5 28 1 0 0 0 0 6 28 1 0 0 0 0 7 18 1 0 0 0 0 7 29 1 0 0 0 0 8 16 1 0 0 0 0 8 56 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 11 33 3 0 0 0 0 12 13 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 21 2 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 22 1 0 0 0 0 19 37 1 0 0 0 0 20 23 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 M END $$$$