BRBI85 -OEChem-04022104493D 36 38 0 0 0 0 0 0 0999 V2000 -4.1308 2.1940 -0.3835 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2428 -2.4386 -0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7003 1.2605 0.0907 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -0.7751 1.3599 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1786 1.3603 0.5224 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 2.1647 1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8706 -0.0869 0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5081 -0.5923 -0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 1.6303 -1.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6588 2.5580 0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 0.5036 -1.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7826 -1.9693 -0.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3989 -2.7296 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7689 -2.0948 1.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4221 0.5774 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4053 1.6317 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7448 0.8973 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0474 -0.7560 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6928 -0.1162 -0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9953 -1.7695 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3181 -1.4495 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7127 3.0553 1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 1.6922 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1769 2.6591 -1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6797 3.0864 -0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2561 3.2419 1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1913 0.4769 -2.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 -2.4331 -1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5891 -3.7971 0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -2.6724 2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7387 2.6760 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0251 -1.0376 0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7243 0.1318 -0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6975 -2.8065 0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0808 2.2196 -0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1038 -2.0385 -0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 35 1 0 0 0 0 2 21 1 0 0 0 0 2 36 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 14 2 0 0 0 0 5 10 1 0 0 0 0 5 16 2 0 0 0 0 6 10 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 11 2 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 M END $$$$