D00MIX -OEChem-04152110512D 46 47 0 1 0 0 0 0 0999 V2000 7.9128 3.8816 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2263 6.5748 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 5.2545 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 6.0680 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 4.5398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 3.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 4.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8195 5.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.4917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.7648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3726 2.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -4.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 14 5 1 6 0 0 0 5 43 1 0 0 0 0 6 23 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 46 1 0 0 0 0 8 27 2 0 0 0 0 11 9 1 6 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 17 1 0 0 0 0 10 24 2 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 22 2 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 23 2 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$