B2R1KP -OEChem-04012119452D 40 42 0 1 0 0 0 0 0999 V2000 2.0000 -1.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7742 0.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 1.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 -2.9950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4851 -0.2223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 -1.8361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 -0.5271 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5388 -1.5271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5878 -0.2180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4851 -1.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0687 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2788 0.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7957 0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2788 -2.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0849 1.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 2.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7312 1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3741 3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7098 1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3526 3.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0204 2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5396 0.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 -2.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9754 -0.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 -2.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0224 -2.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5295 -1.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5295 -0.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8684 0.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0872 1.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6891 0.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6936 -3.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0643 2.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4711 1.9723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5386 0.7575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 3.5031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1238 1.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5452 3.8372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6271 2.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 1 0 0 0 9 12 1 0 0 0 0 9 13 1 1 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 28 1 0 0 0 0 11 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 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 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$