ATOM 20
1 C1x C 23.6176 -16.5404
2 C5x C 23.6176 -17.9418
3 N1y N 25.0190 -17.9418
4 C1y C 25.0190 -16.5404
5 C1x C 26.3517 -18.3746
6 C1y C 27.1753 -17.2410
7 O2x O 26.3517 -16.1075
8 O5x O 22.6270 -18.9325
9 C1c C 28.4044 -16.5404
10 C1c C 29.6180 -17.2410
11 C6a C 30.8497 -16.5295
12 O6a O 32.0563 -17.2260
13 N1b N 29.6181 -18.6427
14 O6a O 30.8492 -15.1391
15 C5a C 30.8140 -19.3336
16 O5a O 31.9940 -18.6526
17 C1c C 30.8143 -20.7561
18 N1a N 32.0028 -21.4425
19 C1a C 29.5742 -21.4726
20 O1a O 28.4081 -15.1475
BOND 21
1 1 2 1
2 2 3 1
3 3 4 1
4 1 4 1
5 3 5 1
6 5 6 1
7 6 7 1
8 4 7 1
9 2 8 2
10 6 9 1 #Up
11 9 10 1
12 10 11 1
13 11 12 1
14 10 13 1 #Up
15 11 14 2
16 13 15 1
17 15 16 2
18 15 17 1
19 17 18 1 #Up
20 17 19 1
21 9 20 1
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