LBOD14 -OEChem-05022322412D 42 44 0 0 0 0 0 0 0999 V2000 3.8660 3.7012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2531 -3.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 0.8964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8994 -3.1118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 2.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 3.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3211 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9674 -0.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -1.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2781 -1.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6103 -1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9209 -2.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 0.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 0.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 2.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 2.0935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 0.6452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 0.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 1.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5783 3.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 4.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3996 3.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7144 -0.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3815 0.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2177 -2.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8848 -1.3387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0920 -3.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3135 -2.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 22 2 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 22 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 M END $$$$