BL92OS -OEChem-04022113013D 37 39 0 0 0 0 0 0 0999 V2000 -4.8082 -1.3153 1.3096 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5676 -0.8688 -0.9047 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4922 0.1471 -0.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0898 -2.8906 0.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0049 1.4076 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3459 1.3202 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 2.6519 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1892 2.5250 0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1134 3.8763 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 3.7586 0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6985 -0.0581 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5287 -0.7704 -0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8722 -0.1829 -0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8998 -0.7740 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 -2.1651 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -0.6900 0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8887 -2.1689 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 -2.8517 -0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0891 -0.9509 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4934 2.6718 -1.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4241 2.7168 0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 2.3474 1.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 2.7224 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 3.9821 -1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4563 4.7839 -0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9528 3.6931 1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9353 4.6631 0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8692 -0.9383 -1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3683 0.6931 -1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 -0.2433 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 -2.7075 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1962 -1.6209 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 0.0586 1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7088 -3.9363 -0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 -3.8987 0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9492 -2.3993 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7466 -1.4937 1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 37 1 0 0 0 0 2 19 2 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 17 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 17 2 0 0 0 0 14 30 1 0 0 0 0 15 18 2 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 34 1 0 0 0 0 M END $$$$