ATOM 21
1 C1z C 28.8920 -17.8650
2 C1y C 30.3631 -17.8650
3 C1z C 31.7058 -19.3405
4 C1y C 31.7058 -20.7416
5 C1y C 30.4331 -21.8743
6 C1z C 29.0320 -21.8743
7 C1y C 27.6263 -20.7416
8 O2x O 27.4163 -19.2005
9 O2x O 28.3320 -19.6850
10 C1y C 29.8439 -20.0788
11 O1a O 29.4239 -18.5716
12 C1y C 32.9182 -21.4416
13 N2x N 34.1307 -20.7416
14 C2y C 34.1307 -19.3405
15 N1x N 32.9182 -18.6405
16 N1a N 35.3740 -18.6227
17 O1a O 30.9373 -16.5657
18 C1a C 28.0421 -22.8642
19 O1a O 29.3943 -23.2266
20 O1a O 32.9182 -22.8416
21 O1a O 28.1920 -16.6526
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 1 1
9 1 9 1 #Up
10 5 9 1 #Up
11 7 10 1 #Down
12 3 10 1 #Down
13 10 11 1
14 4 12 1
15 12 13 1
16 13 14 2
17 14 15 1
18 3 15 1
19 14 16 1
20 2 17 1 #Up
21 6 18 1 #Up
22 6 19 1 #Down
23 12 20 1 #Up
24 1 21 1
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