B3LCP6 -OEChem-04012115402D 44 46 0 0 0 0 0 0 0999 V2000 6.9146 2.2931 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5214 -1.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8272 -1.4246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3624 0.2227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 -3.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0351 -2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 0.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5703 -0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0837 0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7567 -4.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4509 -4.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 1.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9646 -5.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6588 -5.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 -6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9634 -2.5461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7171 -3.3041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3636 -2.9285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 -2.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -1.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7728 0.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3359 0.1175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1671 -4.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9117 -3.9442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2003 1.6147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5039 -6.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2485 -5.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0446 -6.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 17 2 0 0 0 0 3 26 1 0 0 0 0 3 43 1 0 0 0 0 4 25 2 0 0 0 0 5 28 1 0 0 0 0 5 44 1 0 0 0 0 6 28 2 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 7 33 1 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 8 34 1 0 0 0 0 9 16 1 0 0 0 0 9 25 1 0 0 0 0 9 38 1 0 0 0 0 10 16 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 18 21 2 0 0 0 0 18 35 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 23 2 0 0 0 0 20 37 1 0 0 0 0 21 39 1 0 0 0 0 22 27 2 0 0 0 0 22 40 1 0 0 0 0 23 27 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$