ATOM 25
1 C8y C 28.6419 -19.6117
2 C1y C 29.8622 -18.9226
3 C8y C 28.6360 -21.0132
4 C8x C 27.4331 -18.9052
5 C1y C 29.8856 -17.5211
6 C1y C 31.0710 -19.6351
7 C8y C 27.4272 -21.7139
8 C7x C 29.8448 -21.7256
9 C8y C 26.2127 -19.6000
10 C2y C 31.0943 -16.8321
11 N1y N 28.8637 -16.5809
12 O7x O 31.0652 -21.0365
13 C1x C 32.2914 -18.9460
14 C8y C 26.2067 -21.0072
15 O2a O 27.4389 -23.1154
16 O6a O 29.7864 -23.1328
17 O2a O 24.9805 -18.9226
18 C2x C 32.3031 -17.5504
19 C1x C 30.8141 -15.4656
20 C1x C 29.4419 -15.3139
21 C1a C 27.6550 -17.2934
22 O2a O 24.9922 -21.7022
23 C1a C 23.7892 -19.6467
24 C1a C 23.7834 -20.9956
25 C1a C 26.2403 -23.8217
BOND 28
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 1
11 6 12 1
12 6 13 1
13 7 14 2
14 7 15 1
15 8 16 2
16 9 17 1
17 10 18 2
18 10 19 1
19 11 20 1
20 11 21 1
21 14 22 1
22 17 23 1
23 22 24 1
24 8 12 1
25 9 14 1
26 13 18 1
27 19 20 1
28 15 25 1
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