BKM51O -OEChem-04022101102D 32 33 0 1 0 0 0 0 0999 V2000 3.8661 -2.1907 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5732 -2.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -2.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5732 -1.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1261 2.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4531 3.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6085 0.9659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6766 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4178 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 -0.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 1.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9355 1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -1.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9014 1.6730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1602 2.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5096 -0.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8154 -1.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 -1.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3341 -0.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2578 1.9633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3269 1.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8814 2.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 1.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5971 -1.2215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8034 -1.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5003 1.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2074 1.1264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4480 0.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4128 -3.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 -2.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2866 3.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 14 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 5 16 1 0 0 0 0 5 32 1 0 0 0 0 6 16 2 0 0 0 0 15 7 1 1 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 M END $$$$