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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-1.8738 0.4810 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.4830 2.3331 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6229 1.3309 0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0470 1.5762 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7808 0.2101 0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6713 -1.8501 -0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1291 -0.9454 -1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8849 -1.3334 1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2606 -3.2012 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0516 -2.2492 -1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.3351 -1.0014 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4386 -1.2387 -1.6154 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.8520 0.9553 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5508 2.0675 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4968 0.8191 1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6066 2.8176 -0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4720 3.0346 1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5937 0.9232 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2926 0.5567 -0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5096 2.3111 0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2422 1.8551 -0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7317 0.0387 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8269 0.3129 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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