ATOM 23
1 C1z C 23.1058 -14.8279
2 C1z C 23.4468 -13.4057
3 C1y C 23.9545 -15.8832
4 C5x C 21.7229 -14.8599
5 C1a C 22.1829 -16.1574
6 C1y C 24.7248 -12.8259
7 C2x C 22.2614 -12.6747
8 O1a O 23.4802 -11.8819
9 C1y C 25.3657 -15.9062
10 O7x O 23.4970 -17.2144
11 C2x C 21.1976 -13.5729
12 O5x O 20.9946 -16.0404
13 C1x C 25.9706 -13.4518
14 C1b C 24.7543 -11.4367
15 C2y C 25.7700 -17.2482
16 C1x C 26.2519 -14.8187
17 C7x C 24.6174 -18.0560
18 O7a O 25.9770 -10.7716
19 C2a C 27.0828 -17.6947
20 O6a O 24.6630 -19.4460
21 C7a C 27.1528 -11.4964
22 C1a C 28.3750 -10.8371
23 O6a O 27.1871 -12.8913
BOND 25
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
7 2 8 1 #Down
8 3 9 1
9 3 10 1
10 4 11 1
11 4 12 2
12 6 13 1
13 6 14 1 #Up
14 9 15 1
15 9 16 1
16 10 17 1
17 14 18 1
18 15 19 2
19 17 20 2
20 18 21 1
21 21 22 1
22 21 23 2
23 7 11 2
24 13 16 1
25 15 17 1
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