ATOM 19
1 N4y N 30.3313 -19.2533
2 C8y C 29.0211 -18.8396
3 C1y C 29.4664 -21.2091
4 C8x C 31.1338 -18.1562
5 C8y C 29.0211 -17.4603
6 N5x N 27.8238 -19.5353
7 O2x O 28.3567 -20.4130
8 C1y C 29.0462 -22.5131
9 N5x N 30.3313 -17.0342
10 C8y C 27.8238 -16.7771
11 C8x C 26.6452 -18.8396
12 C1y C 27.2597 -21.2091
13 C1y C 27.6733 -22.5131
14 O1a O 29.8487 -23.6101
15 N4x N 26.6452 -17.4603
16 O5x O 27.8238 -15.5512
17 C4a C 25.9683 -20.7766
18 O1a O 26.8710 -23.6101
19 O4a O 24.9464 -21.6856
BOND 21
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 1
15 10 16 2
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 2
19 5 9 1
20 11 15 1
21 12 13 1
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