ATOM 21
1 C1z C 27.7891 -19.6250
2 C1z C 27.7891 -21.0265
3 C1y C 29.1205 -19.1988
4 C1y C 26.7555 -18.6848
5 C1x C 26.2304 -19.2802
6 N1y N 26.5861 -21.7330
7 C5x C 29.1205 -21.4527
8 C1x C 28.8343 -21.9550
9 C1y C 29.4124 -17.8324
10 C1x C 29.9379 -20.3317
11 C1x C 27.0476 -17.3243
12 O1a O 25.3425 -18.6791
13 C1x C 25.4299 -19.9050
14 C1x C 25.4299 -20.9624
15 C1x C 26.8782 -23.0994
16 O5x O 29.8266 -22.6675
17 C1x C 28.2678 -23.2339
18 C1z C 28.3730 -16.8981
19 O1a O 30.7614 -17.4646
20 C1a C 29.5177 -15.9001
21 O1a O 27.5146 -15.4737
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1 #Down
6 2 7 1
7 2 8 1 #Up
8 3 9 1
9 3 10 1
10 4 11 1
11 4 12 1 #Up
12 5 13 1
13 6 14 1
14 6 15 1
15 7 16 2
16 8 17 1
17 9 18 1
18 9 19 1 #Down
19 18 20 1 #Down
20 18 21 1 #Up
21 7 10 1
22 11 18 1
23 13 14 1
24 15 17 1
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