ATOM 22
1 C1y C 26.2620 -19.0525
2 C1z C 24.8751 -19.0286
3 C1y C 27.1368 -20.0247
4 C1y C 26.5854 -17.5437
5 C1y C 24.3285 -17.7448
6 O2x O 23.4883 -19.0114
7 C1a C 24.1452 -20.2215
8 C1y C 28.5537 -20.0291
9 O7x O 26.6939 -21.3763
10 C1x C 25.3816 -16.8208
11 C2y C 27.8663 -16.9338
12 C1y C 29.4423 -18.9244
13 C1y C 28.9929 -21.3780
14 C7x C 27.8415 -22.2156
15 C1x C 29.1365 -17.5466
16 C2a C 27.8668 -15.5350
17 O7a O 30.7269 -19.5190
18 O6a O 27.8410 -23.6146
19 C7a C 31.9161 -18.8010
20 O6a O 31.8910 -17.4012
21 C1a C 33.1383 -19.4806
22 C1a C 30.3247 -21.8099
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
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 8 12 1
12 8 13 1
13 9 14 1
14 11 15 1
15 11 16 2
16 12 17 1 #Down
17 14 18 2
18 17 19 1
19 19 20 2
20 19 21 1
21 5 6 1
22 5 10 1
23 12 15 1
24 13 14 1
25 13 22 1 #Down
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