B3U1LQ -OEChem-04012112272D 30 31 0 1 0 0 0 0 0999 V2000 3.4030 -1.1081 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6613 1.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -0.6289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.6081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 0.4127 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8950 0.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -1.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 0.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3386 0.1037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2886 1.4056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4904 1.3963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4904 -1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2886 -1.6218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 -0.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8794 0.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2753 1.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 2.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.2281 0.0000 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 6 1 0 0 0 0 1 15 1 0 0 0 0 2 12 1 0 0 0 0 2 28 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$