ATOM 22
1 C5a C 26.1100 -22.1900
2 N1b N 27.3000 -21.4900
3 C1b C 28.8400 -22.2600
4 C1b C 30.0300 -21.5600
5 C1b C 31.2200 -22.2600
6 C1b C 32.4800 -21.5600
7 N1b N 33.6700 -22.2600
8 C2c C 34.8600 -21.5600
9 N2a N 34.8600 -20.2300
10 N1a N 36.0500 -22.2600
11 C2b C 24.8919 -21.4999
12 C2b C 23.7105 -22.1950
13 C8y C 22.5051 -21.5120
14 O5a O 26.1214 -23.5900
15 C8x C 22.5630 -20.0908
16 C8y C 21.2747 -19.4011
17 C8y C 20.0683 -20.1114
18 C8x C 20.0803 -21.5326
19 C8x C 21.2987 -22.2223
20 O1a O 18.8576 -19.4258
21 O2a O 21.2460 -17.9904
22 C1a C 22.4689 -17.2507
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 2
9 8 10 1
10 1 11 1
11 11 12 2
12 12 13 1
13 1 14 2
14 13 15 2
15 15 16 1
16 16 17 2
17 17 18 1
18 18 19 2
19 13 19 1
20 17 20 1
21 16 21 1
22 21 22 1
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