ATOM 28
1 C8x C 19.4514 -16.5595
2 C8y C 19.4514 -17.9620
3 C8x C 20.6689 -18.6633
4 C8x C 21.8793 -17.9620
5 C8y C 21.8793 -16.5595
6 C8x C 20.6689 -15.8582
7 C1b C 23.0851 -15.8582
8 C1b C 24.2964 -16.5525
9 O2a O 25.5076 -15.8513
10 C8y C 26.7189 -16.5454
11 C8x C 26.7233 -17.9414
12 C8x C 27.9346 -18.6355
13 C8y C 29.1414 -17.9338
14 C8x C 29.1370 -16.5377
15 C8x C 27.9257 -15.8435
16 O2a O 18.2401 -18.6633
17 S4a S 17.0289 -17.9620
18 C1a C 15.8176 -18.6633
19 C1b C 30.3455 -18.6350
20 C1c C 31.5568 -17.9338
21 C6a C 32.7680 -18.6350
22 O6a O 32.7663 -20.0375
23 O6a O 33.9835 -17.9351
24 O2a O 31.5568 -16.5313
25 C1b C 32.7714 -15.8300
26 O3c O 18.0205 -16.9632
27 O3c O 16.0301 -16.9632
28 C1a C 33.9861 -16.5313
BOND 29
1 12 13 2
2 13 14 1
3 14 15 2
4 15 10 1
5 1 2 2
6 2 16 1
7 7 8 1
8 16 17 1
9 2 3 1
10 17 18 1
11 8 9 1
12 13 19 1
13 3 4 2
14 19 20 1
15 9 10 1
16 20 21 1
17 4 5 1
18 21 22 2
19 5 6 2
20 21 23 1
21 6 1 1
22 20 24 1 #Down
23 24 25 1
24 5 7 1
25 17 26 2
26 10 11 2
27 17 27 2
28 11 12 1
29 25 28 1
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