ATOM 25
1 C2y C 26.6816 -19.5299
2 C1x C 25.4568 -20.2239
3 C2x C 27.8833 -20.2473
4 C2b C 26.6876 -18.1358
5 C1y C 25.4452 -21.6296
6 C2y C 27.8716 -21.6471
7 C2b C 25.4802 -17.4358
8 N1x N 26.6583 -22.3354
9 C6a C 24.2261 -22.3178
10 C6a C 29.0731 -22.3588
11 N2y N 25.4685 -16.0245 #+
12 O6a O 23.0187 -21.6064
13 O6a O 24.2085 -23.7177
14 O6a O 29.0556 -23.7586
15 O6a O 30.2921 -21.6705
16 C2x C 26.2909 -14.8929
17 C2x C 24.1327 -15.5869
18 C2y C 25.4685 -13.7612
19 N2x N 24.1387 -14.1929
20 C1b C 26.6816 -13.0613
21 C1c C 27.8890 -13.7555
22 C6a C 29.1023 -13.0556
23 N1a N 27.8833 -15.1554
24 O6a O 29.0964 -11.6557
25 O6a O 30.3155 -13.7555 #-
BOND 26
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 1
8 5 9 1 #Down
9 6 10 1
10 7 11 2
11 9 12 1
12 9 13 2
13 10 14 1
14 10 15 2
15 11 16 1
16 11 17 1
17 16 18 2
18 17 19 2
19 18 20 1
20 20 21 1
21 21 22 1
22 21 23 1 #Up
23 22 24 2
24 22 25 1
25 6 8 1
26 18 19 1
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