B97EMV -OEChem-04012114222D 40 42 0 0 0 0 0 0 0999 V2000 5.2476 0.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8299 -0.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0132 -2.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7796 2.4501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 3.1932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 -1.5107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5164 -3.8586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3254 -3.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5484 -4.5579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9385 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9705 3.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 4.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7476 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2476 0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5566 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8353 -0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 4.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0164 -2.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7074 -3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0164 -2.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7563 -3.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3679 1.4503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9012 0.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5098 4.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7476 2.3707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.8938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1462 1.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9218 4.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6076 5.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8120 -1.5755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3808 -1.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5164 -4.4786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9588 -4.7495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0092 -4.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 19 2 0 0 0 0 3 24 2 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 14 2 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 38 1 0 0 0 0 8 23 2 0 0 0 0 9 24 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$