B40RKW -OEChem-04012118342D 44 46 0 0 0 0 0 0 0999 V2000 5.4960 -2.5745 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7967 2.4201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 -2.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6934 -4.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0646 2.4201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1111 -3.6959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0646 4.4201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -0.8983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 -5.4185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -1.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0646 1.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5179 -2.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 -1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6005 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1986 -0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1986 0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9307 0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0646 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9307 -0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9307 2.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 -1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9307 3.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3326 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7967 4.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6989 -4.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7967 5.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9307 5.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0646 5.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5581 -0.5667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6617 1.2301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4676 1.2301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5277 2.7301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0646 -1.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4676 -0.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 -3.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3336 4.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3336 5.7301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -0.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9307 6.5401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5277 5.7301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6566 -5.9201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6756 -5.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 20 2 0 0 0 0 3 21 2 0 0 0 0 4 26 2 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 5 33 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 6 36 1 0 0 0 0 7 22 1 0 0 0 0 7 29 2 0 0 0 0 8 21 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 26 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 22 25 2 0 0 0 0 23 24 3 0 0 0 0 25 27 1 0 0 0 0 25 37 1 0 0 0 0 27 28 2 0 0 0 0 27 38 1 0 0 0 0 28 29 1 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 M END $$$$