BX96OQ -OEChem-04022105012D 40 43 0 0 0 0 0 0 0999 V2000 9.2136 2.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.6778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.5210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.2158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 1.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3981 0.6058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1557 0.3582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5467 3.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9534 2.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9235 0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5168 1.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0721 3.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3145 3.4098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.8345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 0.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 -1.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.8204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 2.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 31 1 0 0 0 0 4 12 1 0 0 0 0 4 15 2 0 0 0 0 5 12 2 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 15 17 1 0 0 0 0 16 21 1 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 22 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$