D01EKQ -OEChem-04152108592D 39 34 0 0 0 0 0 0 0999 V2000 4.8301 1.4232 0.0000 Fe 3 2 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6748 0.0000 Fe 3 2 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6748 0.0000 Fe 3 2 0 0 0 0 0 0 0 0 0 0 6.8301 -2.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8980 0.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1748 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1748 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 0.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6748 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3301 0.5572 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3301 2.2893 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1748 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 -0.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8980 1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3982 4.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6874 -0.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 3.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -0.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7415 0.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0843 -2.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9447 -1.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6657 5.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8425 4.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5201 -2.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4350 0.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 18 1 0 0 0 0 4 38 1 0 0 0 0 5 19 1 0 0 0 0 5 39 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 8 24 2 0 0 0 0 9 25 2 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 26 2 0 0 0 0 15 27 2 0 0 0 0 16 28 2 0 0 0 0 17 29 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 24 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 21 27 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 28 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 29 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M CHG 8 1 2 2 2 3 2 6 -1 7 -1 10 -1 11 -1 12 -1 M CHG 1 13 -1 M ISO 3 1 59 2 59 3 59 M END $$$$