ATOM 22
1 C1y C 25.3514 -16.8876
2 C1z C 26.5713 -16.1931
3 C8y C 24.1492 -16.1814
4 O2x O 25.6315 -18.2650
5 C8y C 27.6102 -17.1386
6 C1x C 26.5772 -14.7981
7 O1a O 27.6802 -15.3526
8 C8y C 24.1549 -14.7864
9 C8x C 22.9527 -16.8818
10 C8y C 27.0206 -18.4168
11 C8x C 29.0050 -17.0101
12 O2x O 25.3690 -14.0920
13 C8x C 22.9527 -14.0860
14 C8x C 21.7386 -16.1814
15 C8x C 27.8378 -19.5607
16 C8x C 29.8164 -18.1541
17 C8y C 21.7386 -14.7864
18 C8y C 29.2327 -19.4264
19 O2a O 20.5305 -14.0860
20 O2a O 30.0381 -20.5704
21 C1a C 19.3225 -14.7864
22 C1a C 31.4330 -20.4362
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 2
8 3 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 8 13 1
13 9 14 2
14 10 15 1
15 11 16 2
16 13 17 2
17 15 18 2
18 17 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 5 10 2
23 8 12 1
24 14 17 1
25 16 18 1
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