ATOM 22
1 C1y C 22.8427 -14.5037
2 C1z C 21.4533 -14.6248
3 C1y C 23.7109 -15.6124
4 C2y C 23.1618 -13.1454
5 C1y C 20.9032 -13.3428
6 O2x O 20.0664 -14.4693
7 C1a C 20.7910 -15.8454
8 C1y C 25.1205 -15.6146
9 O7x O 23.2725 -16.9465
10 C1x C 21.9666 -12.4237
11 C2y C 24.4352 -12.5378
12 C1y C 26.0010 -14.5179
13 C2y C 25.5511 -16.9584
14 C7x C 24.4070 -17.7810
15 C1x C 25.6964 -13.1491
16 C1a C 24.4420 -11.1441
17 O7a O 27.3621 -14.8317
18 C2a C 26.8799 -17.3941
19 O6a O 24.4053 -19.1776
20 C7a C 28.5797 -14.1624
21 C1a C 29.7722 -14.8825
22 O6a O 28.5398 -12.7625
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 1
8 3 9 1
9 4 10 1
10 4 11 2
11 8 12 1
12 8 13 1
13 9 14 1
14 11 15 1
15 11 16 1
16 12 17 1 #Down
17 13 18 2
18 14 19 2
19 17 20 1
20 20 21 1
21 20 22 2
22 5 6 1
23 5 10 1
24 12 15 1
25 13 14 1
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