ATOM 18
1 C1z C 27.6634 -16.8073
2 C1z C 28.8897 -16.1031
3 C1y C 27.6576 -18.2215
4 C1x C 26.4430 -16.0973
5 C1a C 27.6516 -15.3990
6 C2y C 30.1101 -16.8190
7 C4a C 29.8813 -15.0999
8 O1a O 28.8780 -14.6891
9 C1z C 26.4430 -18.9196
10 C1x C 28.8780 -18.9256
11 C1x C 25.2224 -16.8073
12 C2x C 30.1044 -18.2273
13 C4a C 31.3307 -16.1149
14 O4a O 29.8755 -13.6856
15 C1x C 25.2224 -18.2215
16 C1a C 27.3512 -20.4202
17 C1a C 25.7271 -20.1402
18 O4a O 32.5511 -16.8307
BOND 19
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 #Up
7 2 8 1 #Down
8 3 9 1
9 3 10 1
10 4 11 1
11 6 12 2
12 6 13 1
13 7 14 2
14 9 15 1
15 9 16 1
16 9 17 1
17 13 18 2
18 10 12 1
19 11 15 1
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