ATOM 17
1 C1c C 27.7885 -24.1743
2 C1b C 28.9747 -24.8698
3 C5a C 26.6022 -24.8581
4 N1b N 27.7944 -22.1129
5 C8y C 30.1551 -24.1860
6 C5a C 26.6139 -21.4174
7 C8x C 30.1551 -22.8069
8 C8x C 31.3414 -24.8872
9 R R 25.4277 -22.1012
10 O5a O 26.6199 -20.0500
11 C8x C 31.3414 -22.1174
12 C8x C 32.5393 -24.1860
13 C8y C 32.5393 -22.8069
14 O1a O 33.7255 -22.1174
15 N1b N 25.3851 -24.1543
16 R R 24.1928 -24.8417
17 O5a O 26.6013 -26.2500
BOND 17
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 4 6 1
6 5 7 1
7 5 8 2
8 6 9 1
9 6 10 2
10 7 11 2
11 8 12 1
12 11 13 1
13 13 14 1
14 12 13 2
15 3 15 1
16 15 16 1
17 3 17 2
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