ATOM 29
1 C1y C 24.2724 -17.3424
2 C1z C 23.0532 -18.0368
3 C1y C 25.4800 -18.0484
4 C1x C 24.2841 -15.9423
5 C1y C 23.0473 -19.4369
6 C1x C 21.8398 -17.3367
7 C1a C 23.0415 -16.6307
8 C1y C 25.4800 -19.4485
9 C1y C 26.6993 -17.3658
10 C1x C 25.5034 -15.2541
11 C1z C 21.8398 -20.1427
12 C1x C 24.2608 -20.1486
13 C1x C 20.6322 -18.0368
14 O1a O 26.6876 -20.1486
15 C2y C 26.6410 -15.9657
16 C1a C 27.9069 -18.0601
17 C1y C 20.6322 -19.4369
18 C4a C 21.8339 -21.5369
19 C1a C 20.7022 -21.2687
20 C2b C 27.9243 -15.2715
21 O1a O 19.4130 -20.1369
22 O4a O 23.0473 -22.2369
23 C7a C 27.9303 -13.8773
24 O7a O 29.1436 -13.1773
25 O6a O 26.7110 -13.1773
26 C1b C 30.3569 -13.8714
27 C1b C 31.5645 -13.1713
28 N1b N 32.7781 -13.8657
29 C1a C 33.9857 -13.1656
BOND 31
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 5 11 1
11 5 12 1
12 6 13 1
13 8 14 1 #Up
14 9 15 1
15 9 16 1 #Down
16 11 17 1
17 11 18 1 #Up
18 11 19 1 #Down
19 15 20 2
20 17 21 1 #Up
21 18 22 2
22 20 23 1
23 23 24 1
24 23 25 2
25 24 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 8 12 1
30 10 15 1
31 13 17 1
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