ATOM 27
1 C8y C 29.8631 -19.9141
2 N5x N 29.8560 -21.3167
3 C8y C 31.0681 -22.0277
4 N5x N 32.2872 -21.3289
5 C8y C 32.2944 -19.9262
6 N5x N 31.0822 -19.2224
7 S4a S 25.0208 -19.9122
8 N1b N 26.2323 -19.2197
9 O3c O 24.0131 -20.9709
10 O3c O 26.0007 -21.0409
11 C5a C 27.4385 -19.9141
12 N1c N 28.6507 -19.2163
13 O2a O 33.4999 -19.2234
14 C1a C 34.7052 -19.9212
15 O5a O 27.4314 -21.3167
16 C1a C 31.0543 -23.4241
17 C7a C 25.0138 -17.1018
18 O7a O 26.2191 -17.8067
19 C1a C 27.5714 -16.6818
20 O6a O 25.0069 -15.6994
21 C8y C 23.8162 -19.2121
22 C8y C 23.8081 -17.8111
23 C8x C 22.5900 -17.1142
24 C8x C 21.4497 -17.8251
25 C8x C 21.3878 -19.2261
26 C8x C 22.6060 -19.9161
27 C1a C 28.6438 -17.8838
BOND 28
1 5 13 1
2 13 14 1
3 1 2 2
4 11 15 2
5 21 7 1
6 3 16 1
7 7 8 1
8 22 17 1
9 2 3 1
10 17 18 1
11 7 9 2
12 18 19 1
13 3 4 2
14 17 20 2
15 7 10 2
16 4 5 1
17 8 11 1
18 5 6 2
19 11 12 1
20 12 1 1
21 21 22 1
22 22 23 2
23 23 24 1
24 24 25 2
25 25 26 1
26 26 21 2
27 6 1 1
28 12 27 1
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