B54BWE -OEChem-04012119482D 41 43 0 1 0 0 0 0 0999 V2000 2.5369 1.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -1.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9734 -2.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3517 -0.2010 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4769 1.9795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7690 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4381 -0.6078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2471 0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2177 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2302 -1.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0837 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9497 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0837 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8158 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8158 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9497 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7097 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7097 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6158 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6158 0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2674 0.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3541 -0.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -0.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 0.7935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3119 1.4101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8192 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0666 2.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0162 2.3944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9497 -1.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 1.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1502 -2.5014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9497 1.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7025 -1.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7025 1.9536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1515 -0.5339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1515 1.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 35 1 0 0 0 0 2 13 1 0 0 0 0 2 36 1 0 0 0 0 3 12 2 0 0 0 0 4 13 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 7 6 1 1 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 1 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 19 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$