ATOM 29
1 C1y C 30.5316 -20.9409
2 C5x C 30.5330 -22.3353
3 N1y N 31.8532 -22.3265
4 C1x C 31.9146 -20.9360
5 O5x O 29.5519 -23.3291
6 N1b N 29.8295 -19.7250
7 C5a C 28.6237 -20.4364
8 C2c C 27.4071 -19.7341
9 C8y C 26.1906 -20.4364
10 O5a O 28.6304 -21.8411
11 N2b N 27.4071 -18.3297
12 C1c C 33.0857 -23.0397
13 C8y C 34.2988 -22.3393
14 C8x C 35.5118 -23.0397
15 C6a C 33.0851 -24.4401
16 O6a O 31.8554 -25.1495
17 O6a O 34.2815 -25.1318
18 C8x C 36.7247 -22.3393
19 C8y C 36.7247 -20.9387
20 C8x C 35.5118 -20.2382
21 C8x C 34.2988 -20.9387
22 O1a O 37.9229 -20.2467
23 C8x C 24.9776 -19.7361
24 C8x C 23.7645 -20.4364
25 C8y C 23.7645 -21.8371
26 C8x C 24.9776 -22.5376
27 C8x C 26.1906 -21.8371
28 O1a O 22.5358 -22.5495
29 O1b O 28.6400 -17.6175
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 1 4 1
5 2 5 2
6 1 6 1 #Up
7 6 7 1
8 7 8 1
9 8 9 1
10 7 10 2
11 8 11 2
12 3 12 1
13 12 13 1
14 13 14 1
15 12 15 1 #Down
16 15 16 2
17 15 17 1
18 14 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 13 21 2
23 19 22 1
24 9 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 9 27 1
30 25 28 1
31 11 29 1
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