ATOM 20
1 C1z C 26.9087 -20.4068
2 C2y C 28.0598 -21.0693
3 C1y C 26.9145 -19.0686
4 C1x C 25.7344 -19.7384
5 N1y N 25.7519 -21.0752
6 C2y C 29.2226 -20.4185
7 C1x C 28.0422 -22.4003
8 C1y C 28.0715 -18.4062
9 C1x C 25.7344 -18.4002
10 C1y C 26.6665 -17.0539
11 C1x C 24.6008 -20.4068
12 C1a C 25.7461 -22.4061
13 C1x C 29.1583 -19.0746
14 N1x N 30.3675 -21.1044
15 C1x C 29.1875 -23.0804
16 C1x C 28.0245 -17.0539
17 C1x C 24.6008 -19.0686
18 C5x C 30.3501 -22.4354
19 O5x O 31.5069 -23.0921
20 C1a C 25.8775 -15.9498
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 6 14 1
14 7 15 1
15 8 16 1 #Up
16 9 17 1
17 14 18 1
18 18 19 2
19 8 13 1
20 11 17 1
21 15 18 1
22 16 10 1
23 10 20 1 #Down
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