D0T5OD -OEChem-10101305022D 43 44 0 0 0 0 0 0 0999 V2000 4.4030 -3.6271 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0898 1.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4896 0.9923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0118 -2.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1964 -4.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6096 -3.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7942 -4.4204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 2.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 2.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4142 3.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4142 4.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 4.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 4.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 0.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8637 -0.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -0.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8552 -0.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6376 -1.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2378 -1.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6291 -1.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3626 2.0635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1702 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 1.9802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7242 2.7492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0131 3.4466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0131 4.1257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7242 4.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 3.4466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.7492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 4.1257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 5.3032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 5.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 5.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1702 5.3032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6402 -0.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2326 0.2993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2602 -2.2712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8525 -1.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0315 -4.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1795 -4.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 16 2 0 0 0 0 4 22 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 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 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$