ATOM 27
1 C8x C 12.5366 -16.5285
2 C8y C 12.5366 -17.9292
3 C8x C 13.7973 -18.6296
4 C8x C 14.9879 -17.9292
5 C8y C 14.9879 -16.5285
6 C8x C 13.7973 -15.8281
7 N2b N 11.3459 -18.6296 #+
8 O3a O 10.1553 -17.9292 #-
9 O3a O 11.3459 -20.0304
10 C2b C 16.1786 -15.8281
11 C2c C 17.4392 -16.5285
12 C2b C 18.6299 -15.8281
13 C2c C 19.8205 -16.5285
14 C1a C 17.4392 -17.9292
15 C1a C 19.7505 -17.9292
16 C1b C 21.0112 -15.8281
17 C1b C 22.2719 -16.5285
18 C8y C 23.4625 -15.8281
19 C8y C 23.4625 -14.4273
20 O2x O 24.6532 -16.5285
21 C8y C 25.9139 -15.8281
22 C8y C 25.9139 -14.4273
23 C8y C 24.6532 -13.7270
24 C1a C 22.2719 -13.7270
25 C1a C 27.1045 -13.7270
26 O1a O 27.1045 -16.5285
27 O5x O 24.6532 -12.3262
BOND 28
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 7 8 1
9 7 9 2
10 5 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 11 14 1
15 13 15 1
16 13 16 1
17 16 17 1
18 17 18 1
19 19 18 2
20 18 20 1
21 20 21 1
22 21 22 2
23 22 23 1
24 19 23 1
25 19 24 1
26 22 25 1
27 21 26 1
28 23 27 2
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