1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69
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RDKit 3D
32 32 0 0 0 0 0 0 0 0999 V2000
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-0.4893 2.3431 0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6297 1.3507 0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0543 1.5756 0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7801 0.2051 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6715 -1.8396 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1887 -1.0005 -1.4544 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8462 -1.2967 1.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2524 -3.2060 -0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.8526 0.9573 -1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5466 2.0485 0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4662 0.8056 1.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.4759 3.0423 1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.5294 2.3155 0.7225 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2446 1.8304 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7240 0.0447 1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8219 0.3175 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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