BBO2A8 -OEChem-04012114353D 48 49 0 1 0 0 0 0 0999 V2000 -1.9846 -0.1015 -0.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4083 1.6151 0.7836 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4683 -0.4187 -0.2276 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3321 1.2778 -0.1684 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.5985 2.5022 0.3928 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 -0.6734 0.1404 N 0 0 1 0 0 0 0 0 0 0 0 0 -7.1132 1.3943 0.1064 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4223 -0.6823 -0.4628 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6220 0.5325 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 -0.6888 -1.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1265 0.3639 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3370 0.6665 0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6931 -1.1359 1.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4009 -0.1967 0.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4704 0.7682 -1.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0193 -0.3528 0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0888 0.6121 -1.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6367 0.0516 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8331 0.5498 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6643 -0.6816 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1253 -0.7949 0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9331 0.3420 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6754 -2.0374 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2913 0.2365 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0334 -2.1428 -0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8415 -1.0058 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 -1.6169 -0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 1.4493 -0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 0.7530 1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9446 0.2612 -2.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6188 -0.8949 -2.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2694 -1.4795 -2.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9849 1.3227 0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1673 1.1730 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7008 -1.2267 1.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1183 -0.4854 2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2593 -2.1414 1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 -0.5175 1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0233 1.2081 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4786 -0.7924 1.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4169 0.9291 -2.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5597 -0.0527 1.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 -1.6848 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4801 1.2994 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0583 -2.9317 0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3814 1.5144 0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4614 -3.1102 -0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8950 -1.1259 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 2 19 1 0 0 0 0 2 46 1 0 0 0 0 3 19 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 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 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 19 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 15 17 2 0 0 0 0 15 39 1 0 0 0 0 16 18 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$