ATOM 21
1 C2y C 22.8860 -19.5538
2 C1z C 21.6676 -18.8483
3 C2y C 22.8860 -20.9529
4 C2b C 24.0928 -18.8542
5 C1x C 20.4551 -19.5538
6 C1a C 20.4492 -18.1430
7 C1a C 22.8744 -18.1371
8 C1x C 21.6676 -21.6524
9 C1a C 24.0868 -21.6524
10 C2b C 25.3052 -19.5595
11 C1x C 20.4551 -20.9529
12 C2c C 26.5179 -18.8599
13 C2b C 27.7246 -19.5654
14 C1a C 26.5062 -17.4608
15 C2b C 28.9371 -18.8659
16 C2b C 30.1498 -19.5712
17 C2c C 30.1438 -20.9762
18 C2b C 31.3447 -21.6815
19 C1a C 28.9254 -21.6641
20 C2b C 31.3389 -23.0806
21 R R 32.5456 -23.7802
BOND 21
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 2
10 5 11 1
11 10 12 1
12 12 13 2
13 12 14 1
14 13 15 1
15 15 16 2
16 16 17 1
17 17 18 2
18 17 19 1
19 18 20 1
20 20 21 2
21 8 11 1
|