L95JRO -OEChem-05032301052D 49 52 0 0 0 0 0 0 0999 V2000 4.4727 -1.6865 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -2.8080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5054 1.3080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 2.3080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -0.6920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -1.0284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -0.6920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 0.8080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5054 2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 2.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 -0.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 -1.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4557 0.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9729 0.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7700 0.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2933 2.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8948 2.2003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4495 0.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8480 1.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7700 3.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9729 3.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7744 2.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1763 -0.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 1.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3748 -1.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1719 -1.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3704 1.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0622 0.8218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 1.2993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8493 0.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -0.3073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 -1.5405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9063 1.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 1.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 2 23 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 36 1 0 0 0 0 5 17 2 0 0 0 0 5 22 1 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 6 25 1 0 0 0 0 7 21 2 0 0 0 0 7 22 1 0 0 0 0 8 22 2 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 18 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 26 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 M END $$$$