blob: 0cf1d1fee27d0973a772a6f4a98dbb6d6666ffa0 (
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 1.100 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 N1 N* M 5 4 3 1.530 109.599 295.545
9 C6 CM M 8 5 4 1.369 123.065 81.617
10 H6 H4 E 9 8 5 1.081 120.003 359.961
11 C5 CM M 9 8 5 1.340 121.249 177.325
12 C7 CT 3 11 9 8 1.500 121.661 179.962
13 H71 HC E 12 11 9 1.090 109.500 59.987
14 H72 HC E 12 11 9 1.089 109.504 179.953
15 H73 HC E 12 11 9 1.090 109.522 300.024
16 C4 C M 11 9 8 1.440 120.750 359.957
17 O4 O E 16 11 9 1.230 125.346 180.004
18 N3 NA M 16 11 9 1.380 114.100 0.044
19 H3 H E 18 16 11 1.089 116.782 180.040
20 C2 C M 18 16 11 1.380 126.403 359.936
21 O2 O E 20 18 16 1.221 121.639 179.980
|
