ATOM 31
1 C1x C 22.4615 -20.3656
2 C1x C 22.4615 -21.7865
3 C1z C 23.6919 -22.4969
4 C1y C 24.9225 -21.7865
5 C1z C 24.9225 -20.3656
6 C1x C 23.6919 -19.6551
7 C1x C 26.1530 -22.4969
8 C1x C 27.3835 -21.7865
9 C1z C 27.3835 -20.3656
10 C1y C 26.1530 -19.6551
11 C1y C 28.6141 -19.6551
12 C1z C 28.6141 -18.2343
13 C1y C 27.3835 -17.5238
14 C1x C 26.1530 -18.2343
15 C1x C 29.8445 -20.3656
16 C2x C 31.0750 -19.6551
17 C2y C 31.0750 -18.2343
18 C1y C 29.8445 -17.5238
19 C4a C 32.2925 -17.5312
20 O4a O 33.4995 -18.2282
21 C4a C 29.8445 -16.1029
22 C1a C 28.6141 -16.8134
23 O7a O 27.3835 -16.1029
24 C1a C 27.3835 -19.2289
25 C1a C 24.9225 -18.9447
26 C1a C 24.4024 -23.7274
27 C1a C 22.9815 -23.7274
28 O4a O 31.0792 -15.3902
29 C7a C 26.1381 -15.3838
30 C1a C 24.8975 -16.0999
31 O6a O 26.1379 -14.0003
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 2
20 17 18 1
21 12 18 1
22 17 19 1
23 19 20 2
24 18 21 1 #Up
25 12 22 1 #Up
26 13 23 1 #Up
27 9 24 1 #Up
28 5 25 1 #Up
29 3 26 1
30 3 27 1
31 21 28 2
32 23 29 1
33 29 30 1
34 29 31 2
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