ATOM 30
1 C1z C 28.8167 -22.2192
2 C1y C 27.6094 -21.5077
3 C1y C 30.0354 -21.5251
4 C1y C 28.8108 -23.6130
5 C1a C 28.8050 -20.8778
6 C1z C 26.3905 -22.2075
7 C1y C 27.5511 -20.1079
8 C1y C 30.0471 -20.1255
9 C1x C 31.2486 -22.2366
10 C1x C 27.5978 -24.3128
11 O7x O 30.0180 -24.3187
12 C1y C 26.3846 -23.6072
13 C5x C 25.1833 -21.5019
14 C1a C 26.3789 -20.8021
15 C1y C 28.8399 -19.4198
16 O7a O 27.6152 -18.7025
17 C1a C 31.2660 -19.4374
18 C7x C 31.2369 -23.6363
19 C1y C 25.1833 -24.3071
20 C1y C 23.9701 -22.2075
21 O5x O 25.1833 -20.0963
22 O2a O 28.8515 -18.0201
23 C7a C 26.4022 -18.0026
24 O6a O 32.4442 -24.3421
25 C1x C 23.9701 -23.6072
26 C1a C 25.1833 -25.7068
27 O1a O 22.7571 -21.5019
28 C1a C 30.0704 -17.3261
29 C1a C 25.1890 -18.7025
30 O6a O 26.4022 -16.6029
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1 #Down
11 6 12 1
12 6 13 1
13 6 14 1 #Up
14 7 15 1
15 7 16 1 #Down
16 8 17 1 #Down
17 9 18 1
18 12 19 1
19 13 20 1
20 13 21 2
21 15 22 1 #Up
22 16 23 1
23 18 24 2
24 19 25 1
25 19 26 1 #Down
26 20 27 1 #Down
27 22 28 1
28 23 29 1
29 23 30 2
30 8 15 1
31 10 12 1
32 11 18 1
33 20 25 1
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