ATOM 19
1 C1z C 26.8678 -20.3942
2 C8y C 28.0256 -21.0514
3 C1y C 26.8737 -19.0554
4 C1x C 25.7102 -19.7196
5 N1x N 25.7336 -21.0574
6 C8y C 29.1716 -20.4060
7 C8x C 28.0080 -22.3776
8 C1y C 28.0314 -18.3982
9 C1x C 25.7336 -18.3925
10 C2y C 26.6792 -17.0414
11 C1x C 24.5758 -20.3942
12 C1x C 29.1775 -19.0671
13 N4x N 30.3176 -21.0749
14 C8x C 29.1541 -23.0524
15 C2x C 28.0351 -17.0438
16 C1x C 24.5758 -19.0554
17 C8y C 30.3059 -22.4010
18 C1a C 25.8978 -15.9305
19 O5x O 31.4765 -23.0895
BOND 22
1 1 3 1
2 1 4 1 #Up
3 1 5 1
4 2 6 2
5 2 7 1
6 3 8 1
7 3 9 1
8 4 10 1
9 5 11 1
10 6 12 1
11 6 13 1
12 7 14 2
13 8 15 1 #Up
14 9 16 1
15 13 17 1
16 8 12 1
17 11 16 1
18 14 17 1
19 15 10 2
20 10 18 1
21 1 2 1
22 17 19 2
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