BD4B2E -OEChem-04012118252D 42 44 0 0 0 0 0 0 0999 V2000 6.6353 0.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 2.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.5893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.7846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 2.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -3.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8396 -3.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5741 -2.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0953 -2.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 -2.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -3.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 -3.6982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 1.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 3.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8029 3.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7416 0.0321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2205 0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4859 1.2455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1566 3.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7599 3.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9780 3.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 18 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 11 2 0 0 0 0 5 9 2 0 0 0 0 5 19 1 0 0 0 0 6 15 1 0 0 0 0 6 19 2 0 0 0 0 7 15 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 16 18 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$