ATOM 17
1 C1y C 18.4206 -16.1713
2 N4y N 19.9433 -15.7560
3 O2x O 17.3132 -15.3407
4 C1y C 18.0053 -17.4863
5 C8y C 21.2583 -16.3789
6 C8x C 19.9433 -14.3717
7 C1y C 16.2058 -16.1713
8 C1y C 16.6211 -17.4863
9 N4x N 22.3657 -15.6176
10 O5x O 21.2583 -17.6939
11 C8x C 21.0507 -13.6104
12 C1b C 14.8908 -15.7560
13 O1a O 16.2058 -18.8013
14 C8y C 22.3665 -14.3025
15 O1a O 13.8526 -16.6558
16 O5x O 23.4039 -13.5412
17 O1a O 18.9051 -18.8706
BOND 18
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 2
11 7 12 1 #Up
12 8 13 1 #Down
13 9 14 1
14 12 15 1
15 14 16 2
16 7 8 1
17 11 14 1
18 4 17 1 #Up
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