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1 DUMM DU M 0 -1 -2 0.000 0.000 0.000
2 DUMM DU M 1 0 -1 1.000 0.000 0.000
3 DUMM DU M 2 1 0 1.000 90.000 0.000
4 H11' H1 M 3 2 1 3.886 92.507 92.096
5 C1' CT M 4 3 2 1.090 102.037 71.294
6 H12' H1 E 5 4 3 1.090 109.478 183.234
7 H13' H1 E 5 4 3 1.090 107.820 59.290
8 N9 N* M 5 4 3 1.490 108.083 295.538
9 C8 CK M 8 5 4 1.380 129.207 81.569
10 H8 H5 E 9 8 5 1.080 119.990 0.059
11 N7 NB M 9 8 5 1.310 114.017 180.107
12 C5 CB M 11 9 8 1.390 103.895 0.035
13 C6 C M 12 11 9 1.420 130.429 179.953
14 O6 O E 13 12 11 1.231 128.783 0.029
15 N1 NA M 13 12 11 1.400 111.406 180.017
16 H1 H E 15 13 12 1.001 117.361 179.931
17 C2 CA M 15 13 12 1.380 125.226 359.894
18 N2 N2 B 17 15 13 1.341 116.036 180.023
19 H21 H E 18 17 15 1.010 126.957 359.196
20 H22 H E 18 17 15 1.010 116.558 180.562
21 N3 NC M 17 15 13 1.330 123.346 0.013
22 C4 CB M 21 17 15 1.360 112.160 359.998
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