ATOM 22
1 C1z C 26.0807 -18.4085
2 C8y C 26.0807 -17.0669
3 C2y C 27.2365 -19.0851
4 C1y C 24.9203 -19.0674
5 C1x C 27.2365 -17.7203
6 C8y C 24.9203 -16.4022
7 C8y C 27.2422 -16.4022
8 C1y C 28.3909 -18.4144
9 C2x C 27.2248 -20.4149
10 O2x O 23.9568 -17.6978
11 C1y C 24.9145 -20.3973
12 C1x C 29.5408 -17.7437
13 C8y C 24.9203 -15.0607
14 C1x C 28.3969 -17.0729
15 C8x C 27.2422 -15.0607
16 N1y N 29.5583 -19.0968
17 C1x C 26.0632 -21.0739
18 O1a O 23.7482 -21.0622
19 C8x C 26.0807 -14.3900
20 O2a O 23.7599 -14.3900
21 C1a C 30.7070 -18.4085
22 C1a C 22.5985 -15.0547
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 2
7 3 8 1
8 3 9 2
9 4 10 1 #Down
10 4 11 1
11 5 12 1
12 6 13 2
13 7 14 1
14 7 15 1
15 8 16 1 #Up
16 9 17 1
17 11 18 1 #Down
18 13 19 1
19 13 20 1
20 16 21 1
21 20 22 1
22 6 10 1
23 8 14 1
24 11 17 1
25 12 16 1
26 15 19 2
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