ATOM 29
1 C1z C 24.6553 -17.4307
2 C1y C 24.6496 -18.8376
3 C1y C 25.8755 -16.7361
4 C1x C 23.4412 -16.7361
5 C1a C 24.6438 -16.0296
6 C1z C 23.4412 -19.5381
7 C1x C 25.8638 -19.5440
8 C1y C 27.0781 -17.4424
9 C1x C 25.8871 -15.3408
10 C1x C 22.2270 -17.4307
11 C1y C 22.2270 -18.8376
12 C1a C 22.7289 -20.7525
13 C1a C 24.2231 -20.8225
14 C5x C 27.0722 -18.8435
15 C1y C 28.2982 -16.7595
16 C1x C 27.1015 -14.6462
17 O1a O 21.0069 -19.5324
18 O5x O 28.2806 -19.5381
19 C2y C 28.3099 -15.3584
20 C1a C 29.5067 -17.4541
21 C2b C 29.5300 -14.6636
22 C7a C 29.5358 -13.2684
23 O7a O 30.7502 -12.5736
24 O6a O 28.3157 -12.5736
25 C1b C 31.9643 -13.2625
26 C1b C 33.1669 -12.5620
27 N1c N 34.3812 -13.2567
28 C1a C 35.5954 -12.5562
29 C1a C 34.3812 -14.6519
BOND 31
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 3 8 1
8 3 9 1
9 4 10 1
10 6 11 1
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 9 16 1
16 11 17 1 #Up
17 14 18 2
18 15 19 1
19 15 20 1 #Down
20 19 21 2
21 21 22 1
22 22 23 1
23 22 24 2
24 23 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 27 29 1
29 8 14 1
30 10 11 1
31 16 19 1
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