ATOM 26
1 N5x N 27.3739 -17.0807
2 N4y N 27.3739 -18.4933
3 C8y C 28.5745 -19.1995
4 N4x N 29.8458 -18.4933
5 C8y C 29.8458 -17.0807
6 C8x C 28.5745 -16.3745
7 C1y C 26.1732 -19.1995
8 O5x O 31.0465 -16.3745
9 O5x O 28.5745 -20.6121
10 O2x O 25.0432 -18.4226
11 C1y C 23.9131 -19.2702
12 C1y C 24.3369 -20.5415
13 C1y C 25.7494 -20.5415
14 C1b C 22.7125 -18.5639
15 O7a O 21.5118 -19.2702
16 C7a C 20.3111 -18.5639
17 C1a C 19.1105 -19.2702
18 O6a O 20.3111 -17.1514
19 O7a O 23.5110 -21.6873
20 O7a O 26.5845 -21.6808
21 C7a C 26.5845 -23.0933
22 O6a O 25.4451 -23.7918
23 C1a C 27.8131 -23.8027
24 C7a C 23.5110 -23.0999
25 C1a C 22.2786 -23.8116
26 O6a O 24.6407 -23.7927
BOND 27
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 7 2 1 #Up
8 5 8 2
9 3 9 2
10 7 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 7 13 1
15 11 14 1 #Up
16 14 15 1
17 15 16 1
18 16 17 1
19 16 18 2
20 12 19 1 #Down
21 13 20 1 #Down
22 20 21 1
23 21 22 2
24 21 23 1
25 19 24 1
26 24 25 1
27 24 26 2
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