ATOM 21
1 C1z C 25.0941 -13.2543
2 C1z C 24.8099 -14.6014
3 C1y C 26.4517 -13.1213
4 C1x C 23.7656 -12.9186
5 O2x O 24.7340 -11.9315
6 C1z C 25.9937 -15.2795
7 C1y C 23.6199 -15.2795
8 C1a C 23.4040 -13.6361
9 C1y C 27.0029 -14.3636
10 O2x O 27.7977 -13.2484
11 C1y C 25.9937 -16.6489
12 O1a O 27.1719 -15.9590
13 C1y C 23.6199 -16.6489
14 O1a O 22.3658 -14.8114
15 C1y C 24.8099 -17.3340
16 C7x C 26.1817 -17.8815
17 O7x O 23.6444 -17.8815
18 C2c C 24.8099 -18.6976
19 O6a O 27.2824 -18.6361
20 C1a C 23.6199 -19.3712
21 C2a C 25.9937 -19.3829
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 2 8 1 #Down
8 3 9 1
9 3 10 1
10 6 11 1
11 6 12 1 #Down
12 7 13 1
13 7 14 1 #Up
14 11 15 1
15 11 16 1 #Up
16 13 17 1 #Up
17 15 18 1 #Down
18 16 19 2
19 18 20 1
20 18 21 2
21 4 5 1
22 6 9 1
23 9 10 1
24 13 15 1
25 16 17 1
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