D0U3YU -OEChem-04152108452D 49 51 0 1 0 0 0 0 0999 V2000 7.6651 1.6026 0.0000 S 0 3 3 0 0 0 0 0 0 0 0 0 5.9405 0.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9053 3.9481 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.1824 3.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.8334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.4428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 1.9587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 1.4245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 1.7352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4026 0.9272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9889 0.1171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7679 0.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 2.3670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -2.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0952 3.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.3220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8227 2.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 2.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 1.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 1.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1512 0.5441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8317 -0.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3846 0.6716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2618 1.7503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6131 2.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1746 1.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9481 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 1 22 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 14 3 1 6 0 0 0 3 36 1 0 0 0 0 15 4 1 6 0 0 0 4 37 1 0 0 0 0 5 27 1 0 0 0 0 6 27 2 0 0 0 0 16 7 1 1 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 20 2 0 0 0 0 8 23 1 0 0 0 0 9 19 2 0 0 0 0 9 26 1 0 0 0 0 24 10 1 1 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 25 1 0 0 0 0 11 26 2 0 0 0 0 12 25 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 1 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 23 1 0 0 0 0 20 38 1 0 0 0 0 21 24 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 24 27 1 0 0 0 0 24 44 1 0 0 0 0 26 45 1 0 0 0 0 M CHG 2 1 1 5 -1 M END $$$$