blob: 7325e7ba3f981a5034f970275eb06ed35f5a024c (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
|
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 1.521 109.603 295.536
9 C8 CK M 8 5 4 1.370 131.187 81.607
10 H8 H5 E 9 8 5 1.080 120.006 0.005
11 N7 NB M 9 8 5 1.300 113.887 177.020
12 C5 CB M 11 9 8 1.389 104.039 0.004
13 C6 CA M 12 11 9 1.400 132.429 180.043
14 N6 N2 B 13 12 11 1.340 123.498 359.961
15 H61 H E 14 13 12 1.010 119.942 180.044
16 H62 H E 14 13 12 1.010 120.005 0.006
17 N1 NC M 13 12 11 1.340 117.408 179.960
18 C2 CQ M 17 13 12 1.330 118.832 0.008
19 H2 H5 E 18 17 13 1.080 120.013 179.993
20 N3 NC M 18 17 13 1.319 129.149 359.931
21 C4 CB M 20 18 17 1.350 110.830 0.083
|
