ATOM 27
1 N4y N 33.9449 -15.9608
2 C8y C 32.6340 -15.5355
3 C1y C 32.8379 -18.0290
4 C8x C 34.7431 -14.8597
5 C8y C 32.6340 -14.1663
6 N5x N 31.4396 -16.2347
7 O2x O 31.7309 -17.2425
8 C1y C 32.4184 -19.3400
9 N5x N 33.9449 -13.7351
10 C8y C 31.4396 -13.4788
11 C8x C 30.2569 -15.5355
12 C1y C 30.6355 -18.0290
13 C1y C 31.0434 -19.3400
14 O1a O 33.3098 -20.3362
15 N5x N 30.2569 -14.1663
16 N1a N 31.4339 -12.1154
17 C1b C 29.3364 -17.6038
18 O1a O 30.2395 -20.4411
19 S0 S 28.3284 -16.7123 #+
20 C1b C 27.1457 -17.3941
21 C1a C 28.3284 -15.3549
22 C1b C 25.9629 -16.7123
23 C5a C 24.7802 -17.3941
24 C6a C 23.5975 -16.7123
25 O5a O 24.7802 -18.7632
26 O6a O 22.4207 -17.3998
27 O6a O 23.6034 -15.3549
BOND 29
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 2
15 10 16 1
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 19 20 1
20 19 21 1
21 20 22 1
22 22 23 1
23 23 24 1
24 23 25 2
25 24 26 1
26 24 27 2
27 5 9 1
28 11 15 1
29 12 13 1
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