B78AGS -OEChem-04022103243D 37 39 0 0 0 0 0 0 0999 V2000 -4.2848 1.9837 0.5404 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8453 -3.5586 -0.2955 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6779 1.7236 0.8727 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 2.7479 1.4577 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7206 2.6833 -1.7266 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0552 0.5906 -2.3137 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4281 -3.0417 -0.4618 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9653 -0.5922 0.5433 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2116 2.7106 -1.0037 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9922 -1.0086 -0.0486 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4873 -0.8904 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2738 -1.9707 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 0.4546 0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -1.3508 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1135 0.3454 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6606 -1.8764 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 -2.6769 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2595 -0.6406 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -0.2416 0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 0.8992 -0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8749 -0.6354 1.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5798 1.6465 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9903 0.1118 1.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3427 1.2528 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 1.3339 -1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 1.1958 0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 -3.9631 -0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2524 -2.7281 -0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3356 -0.5559 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5673 3.5010 -1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0892 2.8026 -1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4642 -4.4068 -0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6096 -1.5235 1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 2.5326 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5849 -0.1952 2.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 1.8325 1.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1941 2.9674 -2.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 17 1 0 0 0 0 2 32 1 0 0 0 0 5 25 1 0 0 0 0 5 37 1 0 0 0 0 6 25 2 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 7 27 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 17 2 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 M END $$$$