ATOM 32
1 C1y C 20.7939 -21.1795
2 O2x O 19.5707 -20.4782
3 C1y C 20.7939 -22.5819
4 O2a O 22.0015 -20.4782
5 C1y C 18.3553 -21.1795
6 C1y C 19.5707 -23.2830
7 O1a O 22.0015 -23.2830
8 C1b C 23.2169 -19.7848
9 C1y C 18.3553 -22.5819
10 C1b C 17.1556 -20.4782
11 O1a O 19.5707 -24.6777
12 C1c C 24.4245 -20.4861
13 O1a O 17.1556 -23.2830
14 O1a O 16.0883 -21.3819
15 C1c C 25.6398 -19.7848
16 N1a N 24.4245 -21.8806
17 C1b C 26.8554 -20.4861
18 O1a O 25.6398 -18.3824
19 C1b C 28.0630 -19.7848
20 C1b C 29.2783 -20.4861
21 C1b C 30.4860 -19.7848
22 C1b C 31.7013 -20.4861
23 C1b C 32.9089 -19.7848
24 C1b C 34.1243 -20.4861
25 C1b C 35.3396 -19.7848
26 C1b C 36.5472 -20.4861
27 C1b C 37.7628 -19.7848
28 C1b C 38.9702 -20.4861
29 C1b C 40.1858 -19.7848
30 C1b C 41.3934 -20.4861
31 C1b C 42.6087 -19.7848
32 C1a C 43.8240 -20.4861
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 1
12 9 13 1 #Down
13 10 14 1
14 12 15 1
15 12 16 1
16 15 17 1
17 15 18 1
18 17 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 6 9 1
|