D0QE9Q -OEChem-09301911222D 52 55 0 1 0 0 0 0 0999 V2000 6.4103 0.5811 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1142 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.4802 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.2518 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2946 -0.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 1.3858 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9418 -1.1174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 2.1905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5817 0.5768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5328 0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5328 1.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5817 2.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2727 -0.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6328 -2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3019 -2.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9929 -3.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2801 -2.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6621 -4.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9492 -3.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6402 -4.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9694 0.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6617 0.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1494 0.9506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1494 1.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6617 2.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8339 2.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0448 2.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5483 -0.9885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0854 -1.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2511 -2.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 3.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3865 -3.8916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4717 -2.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4705 -5.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5557 -3.2179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0551 -4.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5058 0.0000 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 26 1 0 0 0 0 3 26 1 0 0 0 0 4 26 1 0 0 0 0 5 17 2 0 0 0 0 6 22 2 0 0 0 0 7 27 1 0 0 0 0 7 52 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 9 17 1 0 0 0 0 9 21 1 0 0 0 0 9 40 1 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 20 1 0 0 0 0 12 23 2 0 0 0 0 13 14 1 0 0 0 0 13 17 1 6 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 21 25 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 30 1 0 0 0 0 28 47 1 0 0 0 0 29 31 2 0 0 0 0 29 48 1 0 0 0 0 30 32 2 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 M END $$$$