ATOM 36
1 C1z C 25.2113 -14.7299
2 C1z C 25.6742 -16.9166
3 C1y C 23.9583 -14.1529
4 C1x C 25.0483 -17.2389
5 C7x C 26.1378 -13.7159
6 C1y C 25.3085 -18.2222
7 C1x C 26.9372 -16.3846
8 C5x C 24.5513 -16.1624
9 C1y C 24.1214 -12.7951
10 C1y C 22.7926 -14.8756
11 C1y C 23.9575 -18.2737
12 O7x O 25.4618 -12.5211
13 O6a O 27.4784 -13.8673
14 C1y C 26.1113 -19.3366
15 C1y C 28.1438 -17.0317
16 C1x C 23.4849 -17.0062
17 O5x O 24.1623 -14.9456
18 C1x C 23.1656 -11.8160
19 C1z C 21.5047 -14.4093
20 O1a O 22.7809 -16.2218
21 C1x C 27.4725 -19.3220
22 C1a C 25.4670 -20.5200
23 C1y C 28.3738 -18.3634
24 C2y C 29.3430 -16.3980
25 C1y C 21.8078 -11.9674
26 C1y C 21.0675 -13.1214
27 C5x C 20.4090 -15.2136
28 C1a C 21.4931 -15.7614
29 O7x O 29.7174 -18.5635
30 C7x C 30.3138 -17.3390
31 C2a C 29.5365 -15.0595
32 C1a C 21.0908 -10.8193
33 C2x C 19.7154 -13.1389
34 C2x C 19.3017 -14.4269
35 O5x O 20.4207 -16.5657
36 O6a O 31.6506 -17.1155
BOND 42
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1
5 2 6 1
6 2 7 1
7 2 8 1 #Down
8 3 9 1
9 3 10 1
10 11 4 1 #Up
11 5 12 1
12 5 13 2
13 6 14 1
14 7 15 1
15 8 16 1
16 8 17 2
17 9 18 1
18 10 19 1
19 10 20 1 #Down
20 14 21 1
21 14 22 1 #Up
22 15 23 1
23 15 24 1
24 18 25 1
25 19 26 1
26 19 27 1
27 19 28 1 #Up
28 23 29 1
29 24 30 1
30 24 31 2
31 25 32 1 #Down
32 26 33 1
33 27 34 1
34 27 35 2
35 30 36 2
36 6 11 1
37 9 12 1
38 11 16 1 #Down
39 21 23 1
40 25 26 1
41 29 30 1
42 33 34 2
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