ATOM 26
1 C8x C 20.8471 -17.9806
2 C8x C 21.4255 -19.2593
3 C8x C 22.8270 -19.3994
4 C8x C 21.6701 -16.8420
5 C8y C 23.0624 -16.9785
6 C8y C 23.6370 -18.2628
7 N4x N 25.0382 -18.1176 #-
8 C8y C 24.1075 -16.0372
9 C8y C 25.3173 -16.7445
10 C8x C 25.3251 -13.9374
11 C8x C 24.1082 -14.6350
12 N5y N 26.5413 -14.6419 #+
13 C8y C 26.5285 -16.0427
14 C1x C 27.7357 -16.7438
15 C1x C 27.7576 -13.9513
16 C1y C 28.9583 -14.6549
17 C1y C 28.9493 -16.0474
18 C2y C 30.1466 -16.7568
19 C2x C 31.3591 -16.0711
20 C1y C 30.1707 -13.9692
21 O2x O 31.3724 -14.6785
22 C1a C 30.2009 -12.5655
23 C7a C 30.1969 -18.1578
24 O7a O 31.2327 -19.0063
25 O6a O 29.0035 -19.0144
26 C1a C 32.5202 -18.3109
BOND 30
1 5 6 2
2 6 7 1
3 12 13 2
4 13 14 1
5 14 17 1
6 16 15 1
7 15 12 1
8 7 9 1
9 8 5 1
10 3 6 1
11 5 4 1
12 16 17 1
13 17 18 1
14 18 19 2
15 19 21 1
16 20 16 1
17 4 1 2
18 20 21 1
19 8 9 2
20 20 22 1 #Down
21 9 13 1
22 18 23 1
23 12 10 1
24 10 11 2
25 11 8 1
26 23 24 1
27 1 2 1
28 2 3 2
29 23 25 2
30 24 26 1
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