BQI2D1 -OEChem-04022100462D 65 66 0 1 0 0 0 0 0999 V2000 2.8660 0.9327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 1.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 3.0204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6237 4.1008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3179 4.4609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7826 2.8136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9230 3.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 3.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 3.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 3.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1863 3.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9295 3.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8805 3.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5747 3.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2845 2.1512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 3.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 2.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2969 4.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 4.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 4.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 4.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5263 3.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7467 3.7623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8952 2.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6749 2.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2205 4.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 4.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5894 2.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3691 3.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9075 4.2693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1890 5.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3723 2.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3219 2.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 2 0 0 0 0 3 23 2 0 0 0 0 4 25 1 0 0 0 0 4 56 1 0 0 0 0 5 25 2 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 7 16 1 0 0 0 0 20 7 1 1 0 0 0 7 43 1 0 0 0 0 8 23 1 0 0 0 0 8 26 1 0 0 0 0 8 53 1 0 0 0 0 9 24 1 0 0 0 0 9 28 2 0 0 0 0 10 28 1 0 0 0 0 10 62 1 0 0 0 0 10 63 1 0 0 0 0 11 28 1 0 0 0 0 11 64 1 0 0 0 0 11 65 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 1 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 21 24 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 25 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 29 57 1 0 0 0 0 30 32 2 0 0 0 0 30 58 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 M END $$$$