ATOM 25
1 C8x C 22.1200 -20.2300
2 C8y C 22.1200 -21.6300
3 C8x C 23.3324 -22.3300
4 C8y C 24.5449 -21.6300
5 C8y C 24.5449 -20.2300
6 C8y C 23.3324 -19.5300
7 N2b N 20.9076 -22.3300 #+
8 O3a O 19.7121 -21.6396 #-
9 O3a O 20.9075 -23.7298
10 N2b N 25.7760 -22.3410 #+
11 O3a O 27.1912 -21.6453 #-
12 O3a O 25.7757 -23.7299
13 C1b C 23.3324 -18.1302
14 C1b C 22.1032 -17.4203
15 O7a O 25.7760 -19.5190
16 C7a C 25.7760 -18.1190
17 O7a O 26.9717 -17.4287
18 C1a C 28.1683 -18.1198
19 O6a O 24.5565 -17.4148
20 C1b C 20.8992 -18.1154
21 C1b C 19.7176 -17.4300
22 C1b C 18.5051 -18.1300
23 C1c C 17.2927 -17.4300
24 C1a C 16.0803 -18.1300
25 C1a C 17.2927 -16.0300
BOND 25
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 4 10 1
11 10 11 1
12 10 12 2
13 6 13 1
14 13 14 1
15 5 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 16 19 2
20 14 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 23 25 1
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