ATOM 28
1 C1y C 28.2029 -20.8974
2 C1y C 27.0034 -21.5960
3 C1z C 28.2086 -19.5116
4 C1x C 30.6132 -20.9032
5 C1y C 25.8098 -20.9091
6 C5x C 26.9858 -23.0167
7 C1y C 29.4139 -18.8130
8 C1x C 26.9977 -18.8189
9 C1a C 28.2029 -18.1492
10 C1x C 30.6132 -19.5233
11 C1z C 24.6162 -21.6077
12 C1x C 25.7982 -19.5233
13 C2x C 25.8157 -23.6572
14 C1c C 29.4081 -17.4506
15 C2y C 24.6162 -22.9759
16 C1x C 23.4227 -20.9264
17 C1a C 24.6046 -20.2453
18 C1b C 30.5784 -16.7752
19 C1a C 28.2261 -16.7811
20 C2x C 23.4227 -23.6629
21 C1x C 22.2583 -21.6077
22 C1b C 31.7543 -17.4389
23 C2x C 22.2583 -22.9759
24 C1b C 32.9246 -16.7636
25 C1c C 34.1008 -17.4332
26 C1a C 35.2711 -16.7519
27 C1a C 34.1066 -18.7897
28 O5x O 28.2516 -23.7155
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 11 15 1
15 11 16 1
16 11 17 1 #Up
17 14 18 1
18 14 19 1 #Down
19 15 20 1
20 16 21 1
21 18 22 1
22 20 23 2
23 22 24 1
24 24 25 1
25 25 26 1
26 25 27 1
27 7 10 1
28 8 12 1
29 13 15 2
30 21 23 1
31 6 28 2
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