ATOM 30
1 C1c C 31.6338 -19.5147
2 C6a C 32.8447 -18.8109
3 O6a O 32.8376 -17.4099
4 O6a O 34.0554 -19.5078
5 N1b N 30.4158 -18.8178
6 C5a C 29.1980 -19.5078
7 O5a O 29.1911 -20.9086
8 C1c C 27.9802 -18.8109
9 C8y C 32.8587 -21.6195
10 C8x C 32.8587 -23.0205
11 C8x C 34.0756 -23.7174
12 C8x C 35.2786 -23.0205
13 C8x C 35.2786 -21.6195
14 C8x C 34.0756 -20.9155
15 C1b C 31.6407 -20.9155
16 N1b N 26.7670 -19.5093
17 C5a C 25.5515 -18.8107
18 C1c C 24.3478 -19.5076
19 N1b N 23.1369 -18.8107
20 C4a C 21.9260 -19.5076
21 O4a O 20.7153 -18.8107
22 C1b C 27.9784 -17.4099
23 C1c C 29.1916 -16.7044
24 C1a C 29.1899 -15.3034
25 C1a C 30.4067 -17.4069
26 O5a O 25.5510 -17.4099
27 C1b C 24.3478 -20.9086
28 C1b C 25.5547 -21.6126
29 S2a S 25.5547 -23.0134
30 C1a C 26.7690 -23.7103
BOND 30
1 9 15 1
2 1 15 1 #Down
3 8 16 1
4 6 8 1
5 16 17 1
6 17 18 1
7 2 3 2
8 18 19 1
9 1 5 1
10 19 20 1
11 1 2 1
12 20 21 2
13 5 6 1
14 8 22 1 #Up
15 2 4 1
16 22 23 1
17 9 10 2
18 23 24 1
19 10 11 1
20 23 25 1
21 11 12 2
22 17 26 2
23 12 13 1
24 18 27 1 #Down
25 13 14 2
26 27 28 1
27 14 9 1
28 28 29 1
29 6 7 2
30 29 30 1
|