ATOM 21
1 C1y C 24.1167 -19.1536
2 C2y C 25.4191 -18.6847
3 N1y N 24.1628 -20.5430
4 C1y C 22.7678 -18.7774
5 C2x C 26.2700 -19.7731
6 C1b C 25.4134 -17.2897
7 C1x C 25.4944 -20.9251
8 C1x C 22.8661 -21.0234
9 C1x C 21.9920 -19.9410
10 O1a O 22.7562 -17.3822
11 O7a O 26.6174 -16.5891
12 C7a C 27.8157 -17.2838
13 C1d C 29.0199 -16.5834
14 O6a O 27.8100 -18.6732
15 C1c C 30.2239 -17.2781
16 C1a C 31.4222 -16.5718
17 O1a O 30.2123 -18.6673
18 O1a O 30.4027 -15.6926
19 C1c C 29.0138 -15.1917
20 C1a C 30.2123 -14.4935
21 C1a C 27.8041 -14.4994
BOND 22
1 2 5 2
2 2 6 1
3 3 7 1
4 3 8 1
5 4 9 1
6 4 10 1 #Up
7 6 11 1
8 11 12 1
9 12 13 1
10 12 14 2
11 13 15 1
12 15 16 1
13 15 17 1 #Up
14 5 7 1
15 8 9 1
16 13 18 1 #Up
17 1 2 1
18 13 19 1 #Down
19 1 3 1
20 1 4 1
21 19 20 1
22 19 21 1
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