LM4J9E -OEChem-05032302003D 26 27 0 0 0 0 0 0 0999 V2000 -2.1972 1.7105 -0.0104 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7737 -1.7426 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2042 -0.3781 0.0092 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4536 -0.5454 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4959 0.4710 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 -0.1579 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5768 -1.5186 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -0.2873 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9299 1.8116 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3827 -3.0553 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0745 0.4631 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2358 1.0500 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3026 2.0849 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 0.0940 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2623 -2.3554 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5607 -1.0882 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2234 2.6361 0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9938 -3.1491 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9981 -3.1525 0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6043 -3.8226 -0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2971 1.2851 -0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6433 3.1170 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0847 -1.3845 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6336 1.1131 0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1766 -0.5781 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9250 0.0708 -1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 15 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$