D0J3JN -OEChem-04152121572D 45 50 0 1 0 0 0 0 0999 V2000 7.4462 -1.9093 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6309 -2.6816 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8586 -3.8663 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -1.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2061 3.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8122 3.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9319 -2.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0494 -1.5191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3938 -0.0398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3885 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 0.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4051 -0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1842 -1.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7937 -0.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 1.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 1.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1522 -2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9892 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8276 -0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 2.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 2.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 2.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0258 0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4478 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 -2.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 4.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2713 -3.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6739 -3.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2656 -4.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6524 -2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8155 -0.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5338 -0.7494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 1.1220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5338 -2.4695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0012 -3.1151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7315 1.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0722 -1.5476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2001 2.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3891 1.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 -0.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3906 4.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6722 4.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8556 -4.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5747 -4.5443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 14 2 0 0 0 0 6 22 1 0 0 0 0 6 27 1 0 0 0 0 7 23 1 0 0 0 0 7 27 1 0 0 0 0 8 26 1 0 0 0 0 8 29 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 1 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 19 2 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 15 20 2 0 0 0 0 16 21 2 0 0 0 0 17 22 1 0 0 0 0 17 34 1 0 0 0 0 18 26 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 24 1 0 0 0 0 19 37 1 0 0 0 0 20 25 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 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 30 1 0 0 0 0 28 44 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 45 1 0 0 0 0 M END $$$$