B5HRC3 -OEChem-04012116492D 66 68 0 1 0 0 0 0 0999 V2000 7.8744 4.0134 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7087 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 3.0747 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 1.3426 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0665 7.1936 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4325 8.5596 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4325 6.8276 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.9580 2.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6646 7.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7986 9.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4580 3.2087 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8744 2.4039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9580 0.6106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9580 2.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9580 2.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4580 3.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 3.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 2.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 3.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9580 4.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9580 2.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4580 3.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4580 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 2.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 3.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4580 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4580 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 2.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9580 0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9325 7.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7986 8.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3754 2.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0657 1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1480 3.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1480 0.9397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4950 3.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2680 4.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4211 4.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.8287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7680 3.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7680 0.9397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8754 1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5657 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0406 1.6887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3504 2.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 2.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3754 0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0657 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.8287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 4.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2680 0.0736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2680 1.1475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2015 8.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 39 1 0 0 0 0 3 39 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 6 40 1 0 0 0 0 7 40 1 0 0 0 0 8 23 1 0 0 0 0 8 29 1 0 0 0 0 9 28 1 0 0 0 0 9 33 1 0 0 0 0 10 41 1 0 0 0 0 10 66 1 0 0 0 0 11 41 2 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 22 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 32 1 0 0 0 0 14 64 1 0 0 0 0 14 65 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 27 1 0 0 0 0 20 25 1 0 0 0 0 20 44 1 0 0 0 0 21 26 2 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 28 2 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 31 2 0 0 0 0 27 52 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 32 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 37 1 0 0 0 0 34 60 1 0 0 0 0 35 38 2 0 0 0 0 35 61 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 37 62 1 0 0 0 0 38 63 1 0 0 0 0 40 41 1 0 0 0 0 M END $$$$