ATOM 30
1 C1x C 18.5500 -20.6500
2 C1x C 18.5500 -22.0500
3 C1x C 19.7400 -22.6800
4 C1y C 20.9300 -22.0500
5 C1z C 20.9300 -20.6500
6 C1x C 19.7400 -19.9500
7 C1x C 22.1200 -22.6800
8 C1x C 23.3100 -22.0500
9 C1y C 23.3100 -20.6500
10 C1y C 22.1200 -19.9500
11 C1y C 24.5000 -19.9500
12 C1z C 24.5000 -18.6200
13 C1x C 23.3100 -17.9200
14 C1x C 22.1200 -18.6200
15 C1x C 26.8800 -19.9500
16 C1x C 26.8800 -18.6200
17 C1y C 25.6900 -17.9200
18 C1c C 25.6900 -16.5200
19 C1y C 26.8800 -15.8200
20 C1a C 24.5000 -15.8200
21 C1a C 24.5000 -17.2200
22 C1a C 20.9300 -19.2500
23 C1z C 28.2800 -15.8200
24 C1x C 27.5800 -14.6076
25 C1c C 29.4924 -16.5200
26 C1c C 30.7049 -15.8200
27 C1a C 29.4924 -17.9198
28 C1a C 31.9360 -16.5310
29 C1a C 30.7050 -14.4202
30 C1a C 29.4924 -15.1200
BOND 34
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 17 18 1
22 18 19 1
23 18 20 1 #Down
24 12 21 1 #Up
25 5 22 1 #Up
26 19 23 1
27 19 24 1
28 24 23 1
29 23 25 1
30 25 26 1
31 25 27 1 #Up
32 26 28 1
33 26 29 1
34 23 30 1 #Up
|